No Name Structure Formula MWNPDepo Pilot Library No Name Structure Formula MW 3 3 3 2 3 + +
24
NPDepo Pilot Library No Name Structure Formula MW 1 (+/-)-Taxifolin C15H12O7 304.26 2 (1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)methyl (2,3-dioxo-2,3-dihydro-1H-indole-1-yl)acetate C19H12N2O6 364.32 3 (1R,4aR,9S,9aS)-1,4a-Dimethyl-2,3,4,4a,9,9a- hexahydro-1H-fluorene-1,9-dicarboxylic acid dimethyl ester C19H24O4 316.40 4 (1R,4aS)-1,4a-Dimethyl-2,3,4,4a-tetrahydro-1H- fluorene-1,9-dicarboxylic acid C17H18O4 286.33 5 (2S,3R)-2-Benzyloxycarbonylamino-3-hydroxy- butyric acid methyl ester C13H17NO5 267.28 6 (2S,3S,4S)-3-Hydroxy-2-methyl-4-((4R,5R)-2,2,5- trimethyl-5-trityloxymethyl-[1,3]dioxolan-4-yl)- pentanoic acid methyl ester C33H40O6 532.68 7 (3R,4R,5S)-4-Hydroxy-5-((S)-1-hydroxy-propyl)- 3,5-dimethyl-dihydro-furan-2-one C9H16O4 188.23 8 (3R,4S,5S)-5-Allyl-3-((4R,6R)-2,2-dimethyl-6- phenethyl-[1,3]dioxan-4-y)-4-hydroxy-3-methyl- dihydro-furan-2-one C22H30O5 374.48 9 (3S,4R)-4-(tert-Butyl-dimethyl-silanyloxy)-3- hydroxy-6-phenyl-hexanoic acid tert-butyl ester C22H38O4Si 394.63 10 (3S,4S,6S)-4-Hydroxy-3-methyl-6- triphenylsilanyloxymethyl-tetrahydro-pyran-2-one C25H26O4Si 418.57 11 (4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2- yl)imino]methyl}phenoxy)acetic acid C18H16N2O3S 340.40 12 (4-Benzyl-piperazin-1-yl)-acetic acid [1-(4-nitro- phenyl)-meth-(E)-ylidene]-hydrazide C20H23N5O3 381.44 13 (4-Methyl-piperazin-1-yl)-acetic acid (R)-2-(4- methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5- benzothiazepin-3-yl ester C23H27N3O4S 441.55 14 (4R,4aR,7R,7aR)-4-Ethyl-2,2,4a,7-tetramethyl- tetrahydro-furo[3,2-d][1,3]dioxin-6-one C12H20O4 228.29 15 (4R,4aR,7S,8aS)-2,2-Dimethyl-4-pentyl-7- trityloxymethyl-tetrahydro-pyrano[4,3-d][1,3]dioxin- 5-one C34H40O5 528.69 16 (R)-(-)-Epinephrine C9H13NO3 183.21 O O OH O H OH OH OH N N O O O O O O CH 3 C H 3 O O O O CH 3 CH 3 H H C H 3 CH 3 O OH OH O C H 3 O CH 3 OH N O O O O CH 3 O CH 3 O O CH 3 OH CH 3 O CH 3 C H 3 O O OH CH 3 OH CH 3 C H 3 O O O CH 3 OH O CH 2 CH 3 C H 3 O O OH Si C H 3 CH 3 CH 3 CH 3 C H 3 O CH 3 CH 3 CH 3 O O H O OH CH 3 Si S N N O O OH N + N N N O O N O S N O N N OO O CH 3 CH3 O O O CH 3 CH 3 O C H 3 CH 3 C H 3 O CH 3 O O O O CH 3 C H 3 H N CH 3 O H O H OH Page 1
Transcript of No Name Structure Formula MWNPDepo Pilot Library No Name Structure Formula MW 3 3 3 2 3 + +
NPDepo Pilot Library
No Name Structure Formula MW
1 (+/-)-Taxifolin C15H12O7 304.26
2 (1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)methyl(2,3-dioxo-2,3-dihydro-1H-indole-1-yl)acetate C19H12N2O6 364.32
3(1R,4aR,9S,9aS)-1,4a-Dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluorene-1,9-dicarboxylic aciddimethyl ester
C19H24O4 316.40
4 (1R,4aS)-1,4a-Dimethyl-2,3,4,4a-tetrahydro-1H-fluorene-1,9-dicarboxylic acid C17H18O4 286.33
5 (2S,3R)-2-Benzyloxycarbonylamino-3-hydroxy-butyric acid methyl ester C13H17NO5 267.28
6(2S,3S,4S)-3-Hydroxy-2-methyl-4-((4R,5R)-2,2,5-trimethyl-5-trityloxymethyl-[1,3]dioxolan-4-yl)-pentanoic acid methyl ester
C33H40O6 532.68
7 (3R,4R,5S)-4-Hydroxy-5-((S)-1-hydroxy-propyl)-3,5-dimethyl-dihydro-furan-2-one C9H16O4 188.23
8(3R,4S,5S)-5-Allyl-3-((4R,6R)-2,2-dimethyl-6-phenethyl-[1,3]dioxan-4-y)-4-hydroxy-3-methyl-dihydro-furan-2-one
C22H30O5 374.48
9 (3S,4R)-4-(tert-Butyl-dimethyl-silanyloxy)-3-hydroxy-6-phenyl-hexanoic acid tert-butyl ester C22H38O4Si 394.63
10 (3S,4S,6S)-4-Hydroxy-3-methyl-6-triphenylsilanyloxymethyl-tetrahydro-pyran-2-one C25H26O4Si 418.57
11 (4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)imino]methyl}phenoxy)acetic acid C18H16N2O3S 340.40
12 (4-Benzyl-piperazin-1-yl)-acetic acid [1-(4-nitro-phenyl)-meth-(E)-ylidene]-hydrazide C20H23N5O3 381.44
13(4-Methyl-piperazin-1-yl)-acetic acid (R)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl ester
C23H27N3O4S 441.55
14 (4R,4aR,7R,7aR)-4-Ethyl-2,2,4a,7-tetramethyl-tetrahydro-furo[3,2-d][1,3]dioxin-6-one C12H20O4 228.29
15(4R,4aR,7S,8aS)-2,2-Dimethyl-4-pentyl-7-trityloxymethyl-tetrahydro-pyrano[4,3-d][1,3]dioxin-5-one
C34H40O5 528.69
16 (R)-(-)-Epinephrine C9H13NO3 183.21
O
OOH
OH
OH
OH
OH
N
NO
O
O
OO
O
CH3
CH3
OO O O
CH3CH3
H
H
CH3
CH3
O OHOH
O
CH3 OCH3
OH
N
O
O
O
OCH3
O
CH3
OO
CH3
OH
CH3
O
CH3CH3
OO
OH
CH3
OH
CH3
CH3
O
OOCH3
OH
O
CH2
CH3CH3
O
O
OH
SiCH3 CH3
CH3
CH3CH3
O
CH3
CH3
CH3
OO
HO
OH
CH3
Si
SN
N O
O OH
N+
N
N
N
O
O
N
O
S
N
O
N
N
O O
O
CH3
CH3
OO
O
CH3
CH3
O
CH3 CH3
CH3
O
CH3
OO
OO
CH3CH3
H
NCH3
OH
OH
OH
Page 1
NPDepo Pilot Library
No Name Structure Formula MW
17(S)-3-((S)-2-{(4S,5R)-5-[(S)-1-(tert-Butyl-dimethyl-silanyloxy)-propyl]-2,2,5-trimethyl-[1,3]dioxolan-4-yl}-propionyl)-4-isopropyl-oxazolidin-2-one
C24H45NO6Si 471.72
18(S)-3-[(2R,3R)-3-(3-Ethyl-2-methyl-oxiranyl)-3-methoxymethoxy-2-methyl-propionyl]-4-isopropyl-oxazolidin-2-one
C17H29NO6 343.42
19 (S)-6-tert-Butyl-4-hydroxy-3-methyl-tetrahydro-pyran-2-one C10H18O3 186.25
20 (tert-Butyl-dimethyl-silanyl)-phenyl-amine C12H21NSi 207.39
211-(3,6-dibromocarbazol-9-yl)-3-{4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazinyl}propan-2-ol
C34H32Br4N4O2 848.28
22 1-(3,6-dichlorocarbazol-9-yl)-3-(dimethylamino)propan-2-ol C17H18Cl2N2O 337.25
23 1-(3-Aminopropylamino)anthraquinone C17H16N2O2 280.33
241-(3-Trifluoromethyl-phenoxy)-3-[2-(4-trifluoromethyl-pyrimidin-2-ylamino)-ethylamino]-propan-2-ol
C17H18F6N4O2 424.35
25 1-(4-Nitro-phenyl)-2-[5-(4-pentyl-phenyl)-4H-1,2,4-triazol-3-ylsulfanyl]-ethanone C21H22N4O3S 410.50
26 1-[4-(6-Chloro-benzothiazol-2-yl)-piperazin-1-yl]-3-(4-trifluoromethoxy-phenoxy)-propan-2-ol C21H21ClF3N3O3S 487.93
27 1-[Bis-(2-hydroxy-ethyl)-amino]-3-carbazol-9-yl-propan-2-ol C19H24N2O3 328.41
281-{[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-1,2,3,4-tetrahydroquinoline
C21H24N6OS2 440.59
2910-acetyl-11-(3,4-dimethoxyphenyl)-3-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-1-one
C27H26N2O5 458.52
3011-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-7,8,9,10-tetrahydro-benzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile
C27H22N6S 462.58
31
1H-Fluorene-1,7,9-tricarboxylic acid,2,3,4,4a,9,9a-hexahydro-1,4a-dimethyl-, 1,9-dimethyl ester, [1R-(1.alpha.,4a.alpha.,9.alpha.,9a.beta.)]- (9CI)
C20H24O6 360.41
321H-Fluorene-1,9-dicarboxylic acid, 2,3,4,4a,9,9a-hexahydro-1,4a-dimethyl-, disodium sallt,[1R,4aR,9R,9aS]-
C17H18Na2O4 332.31
N O
OOOO
O
CH3CH3 CH3
CH3
CH3
CH3CH3
Si
CH3
CH3
CH3
CH3
CH3
N O
CH3 CH3
O OO
CH3
CH3
O
OCH3
CH3
O
OH
O
CH3
H
CH3
CH3
CH3
NSiH
CH3
CH3
CH3CH3
CH3
NN
N
N
Br
Br
Br
Br
OH
OH
N N
Cl
Cl
OH
CH3
CH3
O
O
N NH2
N
N
FF
F
F FF
NON
OH
N
NN
+ NO
SO
O
CH3
N
SNN
O
FF
F O
Cl
OH
N N
OH
OH
OH
N
NN
N
N
N S
S
OCH3
CH3
CH3
NN
O
O
OO
O
CH3
CH3
CH3
N NS
NN
N
N
CH2
O OOO
CH3CH3
CH3
CH3
H
HO
OH
H
HCH3
CH3
O O O O
Na Na
Page 2
NPDepo Pilot Library
No Name Structure Formula MW
332-({5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl}methyl)-2H,4H-benzo[e]1,4-thiazin-3-one
C19H17ClN4OS2 416.95
34 2-(1,3-benzooxazole-2-ylsulfanyl)-N-(9,10-dioxo-9,10-dihydro-2-anthracenyl)acetoamide C23H14N2O4S 414.44
35
2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-phenylpropanoic acid
C27H21NO4 423.47
362-(2-{4-[2-(4-chlorophenyl)-2-oxoethyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
C26H24ClN3O3 461.95
37
2-(3,4-dimethylphenyl)-2-oxoethyl (16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
C30H25NO5 479.54
38 2-(3-Methoxy-4-propoxy-phenyl)-1H-imidazo[4,5-b]phenazine 5,10-dioxide C23H20N4O4 416.44
392-(4-chloro-2-methylphenoxy)-N-(2-{[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine-2-yl]oxy}ethyl)acetoamide
C19H27ClN6O3 422.92
40 2-(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-N-undecyl-acetamide C22H32N2O3 372.51
412,2-Dimethyl-propionic acid (S)-2-((4R,5S)-5-formyl-2,2,5-trimethyl-[1,3]dioxolan-4-yl)-propylester
C15H26O5 286.37
42 2,3-di[(1H-benzo[d]imidazol-2-ylthio)methyl]quinoxalinediium-1,4-diolate C24H18N6O2S2 486.58
432,8-dimethyl-5-{[5-(2-methylphenyl)-2H-tetraazol-2-yl]acetyl}-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
C23H26N6O 402.50
44 2-[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione C24H18N2O3 382.42
45 2-[4-(3-dibenzo[b,e]thiepin-11(6H)-ylidenepropyl)-1-piperazinyl]ethanol C23H28N2OS 380.56
462-[4-[4-Methyl-2-methylsulfanyl-5-(4-methyl-thiazol-2-yl)-thiophen-3-yl]-pyrimidin-2-ylsulfanyl]-1-phenyl-ethanone
C22H19N3OS4 469.67
472-{[5-(2-fluorophenyl)-2-furyl]methylene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione
C23H15FN2O3S2 450.51
482-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazole-3-yl]sulfanyl}-N-(1,2-dihydroacenaphthylene-5-yl)acetoamide
C24H23N5OS 429.55
N
N N
N
S S
OCH3
Cl
N
OSN
O
O
O
N
O
O
O
OH
NNN
O
O
OCl
N
O
O
O
O
O
CH3CH3
N+
N+
N
N
O
O O
O
CH3
CH3
N N
N
N
ON
O
NO
Cl
CH3
CH3
CH3
CH3
N OO
OH
N
CH3
OCH3
OCH3
CH3
O
CH3
OO
CH3
CH3CH3
N+
N+
S
S
N
N
N
N
O
O
NN N
NN
N
O
CH3
CH3
CH3
NN
O
O
O
S
N NOH
S N
NS
N
S
SO
CH3
CH3
CH3
N
N
S
S
O
O
OF
N
NN
NS
O
NH2
CH3
Page 3
NPDepo Pilot Library
No Name Structure Formula MW
49
2-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
C24H19N3O3S2 461.57
502-{3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
C27H25N3O5 471.52
512-{N'-[3-Methyl-5-oxo-1-(4-phenyl-thiazol-2-yl)-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-naphthalene-1-sulfonic acid
C23H17N5O4S2 491.55
52 2-Benzyl-1,2,3,3a,9,9a-hexahydro-chromeno[2,3-c]pyrrole C18H19NO 265.36
53 2-Chloro-1,4-dimethyl-benzene C8H9Cl 140.61
542-ethoxy-6-nitro-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzooxazepine-6-yl]phenol
C23H25N5O5S 483.55
55 2H-1-Benzopyran, 2,3-bis(4-methylbenzenesulfonyloxymethyl)- C25H24O7S2 500.59
56 2H-Chromene-2,3-dicarboxylic acid dimethyl ester C13H12O5 248.24
57 2H-Pyran-2-one, tetrahydro-4-hydroxy-3-methyl-6-(2-phenylethyl)-, (3.beta.,4.alpha.,6.alpha.)- C14H18O3 234.30
583-({[2-(3,4-dimethoxyphenyl)ethyl]amino}carbonyl)bicyclo[2.2.1]hepta-5-ene-2-carboylic acid
C19H23NO5 345.40
593-({[2-(3-chlorophenyl)ethyl]amino}carbonyl)-7-(1-methylethylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
C20H24ClNO3 361.87
60
3-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
C24H27NO5S 441.55
613-({[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
C21H24N2O3S 384.50
62 3,3-Dimethyl-2,3-dihydro-1H-indole C10H13N 147.22
633-[(1H-benzimidazol-2-ylsulfanyl)acetyl]-8-cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
C29H32N4OS 484.67
64 3-[(2-methylbenzoyl)oxy]-2,7-naphthalenedisulfonic acid C18H14O8S2 422.44
NN
N
S
O
O
O
S
N N N
O
O
O
O
O
S
N
OH
OO N
NN
CH3
O
S
N
O
N
CH3
CH3
Cl
N
N+
O
NN
N
OO
SOH
O
CH3
CH3
O
O
OS
SO
O
CH3
CH3
O
O
OO
O
O
O
CH3
CH3
OH
CH3
OH
O
OHOO
NO
O
CH3
CH3
O
O
NOH
Cl
CH3CH3
S
N
O
OO
OH O
CH3CH3
CH3
CH3
NN
S
O
O OH
CH3
CH3
CH3
N
CH3CH3
NN
N
NS
O
S S
O
OO
OO
O
OH
OHCH3
Page 4
NPDepo Pilot Library
No Name Structure Formula MW
65 3-{[3,5-bis(isopropoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid C22H25NO8 431.45
66 4-(Biphenyl-4-ylcarbamoyl)-3-phenyl-butyric acid C23H21NO3 359.43
67 4',6-Diamidino-2-phenylindole dehydrochloride C16H15N5 277.33
68 4-Allyl-5-(2-carbazol-9-yl-ethyl)-4H-1,2,4-triazole-3-thiol C19H18N4S 334.45
694-oxo-4-[1-oxo-3-phenyl-11-(3-pyridinyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid
C28H25N3O4 467.53
70 5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 2-oxo-2-(10H-phenothiazin-10-yl)ethyl sulfide C23H18N4OS2 430.55
715-(5-{2-chloro-5-nitrophenyl}-2-furyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
C29H23ClN2O4 498.97
72 5,7-Bis-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (3-trifluoromethyl-phenyl)-amide C16H7F9N4O 442.25
73 5,8-dihydroxy-4-[1-(2-naphtyl)ethoxy]-3,4,4a,9a-tetrahydro-2,9,10(1H)-anthracenetrione C26H22O6 430.46
74 5-[(4-chlorophenyl)methylthio]-4-ethyl-3-(phenothiazin-10-ylmethyl)-1,2,4-triazole C24H21ClN4S2 465.04
75 5-[2-(4-1,3-Dithiolan-2-yl-phenoxymethyl)-thiazol-4-ylmethylsulfanyl]-4-pentyl-4H-1,2,4-triazol-3-ol C21H26N4O2S4 494.72
765-phenyl-2-{[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide
C23H20N4O2S3 480.63
77 6-(4-Ethoxy-phenyl)-4-phenyl-2-(2-piperidin-1-yl-ethylsulfanyl)-nicotinonitrile C27H29N3OS 443.62
78 6-Hydroxydopamine C8H11NO3 169.18
79 7-Nitroindazole C7H5N3O2 163.14
80
7-Undecene-1,2,4,6-tetraol, 2-O-methanesulphonyl-4,6-O-(1-methylethylidene)-5-O-[(2-metyl-2-propyl)dimethylsilyloxy]methyl-1-O-triphenylmethyl, [2R,4S,5S,6R]-
C51H62O7SSi 847.21
ON
O
O
O
O
O
OOH
CH3
CH3 CH3CH3
N
O O
OH
N
NH2
NHNH2
NH
NN
NN
SH
CH2
N
N
OO
NO
OH
N
N
NN
S
SO
CH3
N
N+
OO
OOCl
CH3
CH3
N
N
N
N
OF F
F
F F
F
F
FF
OO
O
O
OH
OH
CH3
N N
N NS S
Cl
CH3
N
NN
N
S
SS
S
OH
O
CH3
S
S
NN
NS
O
ONH2
N S
N
N
O
CH3
NH2
OH
OH
OH
NN
N+
O
O
O
O O O
O
Si
CH3 CH3
CH3
CH3
CH3CH3SO O
CH3
Page 5
NPDepo Pilot Library
No Name Structure Formula MW
818-(4-Chloro-phenyl)-5-(3-dimethylamino-propylamino)-10-thia-6,6a,11-triaza-cyclopenta[b]phenanthren-7-one
C24H22ClN5OS 463.99
82 8-Azepan-1-ylmethyl-3-(1H-benzoimidazol-2-yl)-7-hydroxy-chromen-2-one C23H23N3O3 389.46
838-benzyl-7,8,9,10-tetrahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one
C20H19N3O 317.39
84 9-Amino-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinoline-1,8-diol C12H16N2O2 220.27
85 9-Amino-2,3,6,7-tetrahydro-5H-cyclopenta[b]quinoline-1,8-dione C12H12N2O2 216.24
86 Acivicin C5H7ClN2O3 178.58
87 Atropine C17H23NO3 289.38
88 Azocarmine G C28H18N3NaO6S2 579.59
89 Baclofen C10H12ClNO2 213.67
90 Baicalin C21H18O11 446.37
91 Cephradine C16H19N3O4S 349.41
92 Colistin sulfate salt C53H102N16O17S 1267.56
93 Cyclandelate C17H24O3 276.38
94 Desipramine C18H22N2 266.39
95 Dithranol C14H10O3 226.23
96 Emodin C15H10O5 270.24
SN
N N
Cl
NN
CH3
CH3
O
N O
N
N
O
OH
N
N
N
O
N
OHOH NH2
N
OO NH2
OOH
NH2ON
Cl
NCH3
O OH
O
N+
N
SO
O ON S O
O
O Na+
OHNH2
O
Cl
O
OOH
OH
OO
OH
OH
OH
OOH
N
N S
O
O
O
NH2
OH
CH3
CH3 NN
NN
NN
CH3
O
NH2
O
H
OHCH3
O
NH2
O
N
O
NN
N
CH3
OH
H O
NH2
O
NH2
OO
NH2
O
CH3CH3
N
O CH3
CH3
S OHOH
O
O
OH
OO
CH3
CH3
CH3
N NCH3
OHOOH
OH
OHOOH
CH3
O
Page 6
NPDepo Pilot Library
No Name Structure Formula MW
97ethyl 2-({[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C24H25N5O3S2 495.63
98 ethyl 2-(butanoylamino)-4-phenylthiophene-3-carboxylate C17H19NO3S 317.41
99 ethyl 7-(naphthylcarbonyl)-3-(2-thienyl)-8-hydropyrrolo[1,2-e]pyrimidine-5-carboxylate C25H18N2O3S 426.50
100 Haloperidol C21H23ClFNO2 375.87
101 Leucomycin A1 C41H69NO13 784.01
102L-glycero-L-ido-Nonitol, 4,8-anhydro-9-azido-3,5-dideoxy-5,5-dimethyl-6-O-methyl-7,9-O-methylidene-
C13H23N3O6 317.34
103 M010012 YR24101A C15H11NO3 253.26
104 M170001 YR23206d C17H20N2O4 316.36
105 Melatonin C13H16N2O2 232.28
106 methyl 6-{[4-(2-naphthylmethyl)-1-piperazinyl]methyl}-1,3-benzodioxol-4-yl ether C24H26N2O3 390.49
107
methylethyl 2-{[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylene}-7-methyl-3-oxo-5-(2-thienyl)-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
C33H29ClN4O5S2 661.20
108N-(1-adamantyl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
C25H26F2N4O 436.51
109 N-(1-benzyl-1H-benzimidazol-2-yl)-5-[(2-isopropyl-5-methylphenoxy)methyl]-2-furamide C30H29N3O3 479.58
110N'-(1-benzyl-2-oxo-1,2-dihydro-3H-indole-3-ylidene)-3-(3,5-dimethyl-1H-pyrazole-1-yl)propanohydrazide
C23H23N5O2 401.47
111N-(3-chloro-4-fluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
C22H13ClF4N4O3 492.82
112
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)acetamide
C22H20N6OS3 480.64
NN S
N
N
NS
O
O
O
CH3
CH3
CH3
S
N
O
O
O
CH3
CH3
NN
S
O
OO
CH3
N
O
OHCl
F
O
NCH3CH3
O
O
CH3CH3
O
CH3
CH3
O
OO
OH
OH
CH3
O
CH3 O
OH
CH3 CH3
O CH3
O
O
OOH
O
H
OH
N
CH3
CH3CH3
N+
N
N
O
O
OCH3
O
O N
O
ON
N
O
N
O
CH3
CH3
N
N O
O
OCH3
O OH
CH3
N
N NN S
O
O
O
CH3
CH3
CH3
S
Cl
N
N
N
N O
F F
CH3
N
NN O
O
O
CH3CH3
CH3
NN
N
N
NOO
CH3
CH3
N
N
N
NO
O
O
FF
F
ClF
N
N
NSS
N
N
N
S O
Page 7
NPDepo Pilot Library
No Name Structure Formula MW
113N-(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-N-[2-(4-morpholinyl)ethyl]amine
C20H25N5O2S 399.52
114 N-(9,10-dioxoanthryl)benzamide C21H13NO3 327.34
115N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
C22H19F3N6O 440.43
116N-[(2-oxo(1H-benzo[d]azolin-3-ylidene))azamethyl]-N'-[(2-oxo(1H-benzo[d]azolin-3-ylidene))azamethyl]hexane-1,6-diamide
C22H20N6O4 432.44
117 N-[4a-Allyl-5,6,7,8-tetrahydro-4aH-naphthalen-(2E)-ylidene]-N'-phenyl-hydrazine C19H22N2 278.40
118 N-[5-(7-chloro-4-quinolylthio)-1,3,4-thiadiazol-2-yl]octanamide C19H21ClN4OS2 420.99
119 Nadolol C17H27NO4 309.41
120 Naphthylazoxine S disodium salt C19H13N3O4S 379.40
121 Neomycin B C23H46N6O13 614.66
122 Norcantharidin C8H8O4 168.15
123 NP162 C21H26N2O2 338.45
124 NP184 C15H27NO5 301.39
125 NP193 C24H28O4 380.49
126 NP2 C21H24O7 388.42
127 NP234 C27H45NO4 447.66
128 NP321 C20H17NO6 367.36
SN
NN
O
NN
O
CH3
CH3
NO
O
O
NN
N
NN
N
O
FF
FCH3
CH3
N
N
NNN
N
O
OO
O
CH2
NN
S
NN
N
S
N
O
Cl
CH3
O N
OH
OH
OHCH3
CH3CH3
N
N
N
OH
SOH
O
O
O OH
OHNH2
NH2
OOH
NH2O NH2
O OH
OO
OHNH2
OH
OH
NH2
OO
O
O
N
N
OO
CH3
CH3
H
N+
OO
O
OHOH
CH3
CH3
CH3
H
O OO
OCH3
CH3
CH3
CH3
O O
O
O
O
O
O
CH3
CH3
CH3
CH3
CH3
N
O
OHCH3 CH3
OH
CH3
OH2
O
N
O
O
O
O
O
CH3HH
Page 8
NPDepo Pilot Library
No Name Structure Formula MW
129 NP389 C23H37NO4 391.56
130 NP430 C37H38N2O6 606.73
131 NP92 C15H25NO5 299.37
132 NPD1011 C34H44N2O6 576.74
133 NPD1016 C23H33NO7 435.52
134 NPD1054 C33H42N2O9 610.71
135 NPD1058 C23H29NO4 383.49
136 NPD1065 C23H17ClO4 392.84
137 NPD107 C25H24N2O2 384.48
138 NPD1088 C24H27BrN2O4 487.40
139 NPD111 C30H32N4O4S 544.68
140 NPD1117 C32H45NO9 587.72
141 NPD1121 C25H20O5 400.44
142 NPD1122 C31H34N2O6 530.63
143 NPD1127 C32H35NO4 497.64
144 NPD1147 C22H20O5 364.40
NOH
OO
CH3
OH
CH3
CH3
CH3
O
NN
O
O
OO
O
CH3CH3
CH3
CH3
HH
N
O
O OH
OH OHCH3
CH3CH3
H
N
CH
N
O
O
O
OH
OH
O
CH3
CH3
CH3
O
OO
OO
N
O
O
CH3
CH3
CH3
CH3
CH3
N+
N
O
O
O
O
O
O
O
O
CH3
CH3
OH
CH3
N
O
O
O
OCH3
CH3
CH3
O
O
OCl
O
CH3
N
N
O
OCH3H
N NO
O
O
Br
O
CH3
CH3
CH3CH3
N
N NN
S O
O OCH3
CH3
OCH3
O
OO
O
O
O
O
O
N
CH3
CH3
OH
CH3
OO O
O CH3
OCH3
N
N
O
O
O
O
O
OCH3
CH3
CH3
CH3
CH3
O
O
N
O
OCH3
CH3
CH3
O OO
O CH3
OCH3
Page 9
NPDepo Pilot Library
No Name Structure Formula MW
145 NPD115 C26H29NO2 387.53
146 NPD1156 C23H25BrN2O3 457.37
147 NPD1165 C26H24O7 448.48
148 NPD117 C20H19BrN2O2 399.29
149 NPD118 C26H37NO2 395.59
150 NPD119 C22H23N3O2 361.45
151 NPD1190 C23H18O4 358.40
152 NPD1195 C30H26O4 450.54
153 NPD1202 C22H23N3O5 409.45
154 NPD1232 C35H43NO10 637.73
155 NPD1233 C21H23NO6 385.42
156 NPD1240 C22H19NO4 361.40
157 NPD1245 C27H23BrN2O6 551.40
158 NPD1274 C20H27NO5 361.44
159 NPD130 C37H31NO11 665.66
160 NPD132 C26H29N5O3 459.55
N
O
OH
CH3
CH3
CH3
N NO
O
BrO
CH3
CH3
CH3
O
O
O
O
O
OO
CH3
CH3
CH3
CH3
N
N
O
O
Br
HH
ON
OCH3
CH3
CH3CH3
N
N
N
O
OH
CH3
CH3
O OO
OCH3
OO
O
O
CH3
CH3
CH3
NN
N
O
O OH
O
O
CH3
CH3
N
O
O
O
O
O
O
O
OHCH3
O
CH3
OH
CH3
NO
O O
OH
O
O
CH3
CH3
CH3
N
OO
O
O
CH3
CH3
CH3
N
O
N
O
O
O
O
Br
O
CH3
CH3
CH3
CH3
O
N
O
O
OH
OH
CH3
CH3
CH3
ON
O
O
O
O
O O
O
OO
OCH3
H
N N
N
N
O
N
O
O
CH3
Page 10
NPDepo Pilot Library
No Name Structure Formula MW
161 NPD1333 C28H25ClN2O7 536.97
162 NPD1346 C42H57ClO5 677.37
163 NPD1386 C24H18N2O2 366.42
164 NPD1396 C24H27ClO4 414.93
165 NPD1409 C24H22BrN3O4S 528.43
166 NPD1411 C21H21NO5 367.41
167 NPD1433 C28H33N3O2 443.59
168 NPD1470 C31H35NO7 533.63
169 NPD1471 C20H17BrO4 401.26
170 NPD1472 C24H17NO7 431.41
171 NPD1486 C20H20N2O5 368.39
172 NPD1516 C19H15ClO5 358.78
173 NPD1539 C21H20O5 352.39
174 NPD1589 C24H18O3 354.41
175 NPD1608 C25H26N4O7 494.51
176 NPD1615 C22H25N3O3 379.46
NO
N
O
O
O
O
Cl
OO
CH3
CH3
CH3
CH3 CH3
OO OO
O
Cl
CH3
CH3
CH3
CH3 CH3
H
H H
N
N
O
O
CH3
O OO
Cl
CH3
OCH3
CH3
SNN N
O
O
O
O
Br
O ON
O
O
CH3
CH3
CH3OCH3
NN
N
O
O
CH3 CH3
CH3
CH3H
N
O
O
O
O
O
O
O
CH3
CH3
CH3
CH3
CH3
O O
O
O
CH3
Br
CH3
N+ OOO
O
O O
CH3
O
CH3
N
O
N
O OO
O
CH3
CH3 Chiral
OO
O
O
Cl
OCH3
CH3
OO
O
OO
CH3
CH3
O
OO CH3
CH3
N
N
NO
OO
O
O
NO
O
CH3
CH3
CH3
N
NO
N
CH3
OH
OCH3
Page 11
NPDepo Pilot Library
No Name Structure Formula MW
177 NPD1647 C30H28O8 516.55
178 NPD1652 C20H22Cl2N2O3 409.32
179 NPD1653 C27H32O4 420.55
180 NPD1654 C24H18O6S 434.47
181 NPD1663 C20H16F2O5 374.34
182 NPD1719 C23H22N4O5 434.46
183 NPD1723 C26H33N3O5 467.57
184 NPD1725 C21H24O6 372.42
185 NPD1742 C25H20O9 464.43
186 NPD1782 C20H16BrFO5 435.25
187 NPD1809 C24H24ClN3O5S 501.99
188 NPD1827 C21H19FO5 370.38
189 NPD1852 C23H20F3N3O5S 507.49
190 NPD1859 C24H27NO7 441.49
191 NPD1867 C38H53N3O 567.87
192 NPD1868 C26H33N3O4 451.57
OO
O
O
O
O
CH3
O
O
CH3
CH3
CH3
N
N
O
O
Cl
Cl
OH
OO O
OCH3
CH3 CH3
CH3
OOS
O
OO
OCH3
O O
O
O
F
CH3 O
F
CH3
N N
N
NH
O
O
O
O
O
CH3
CH3
CH3
N
N
O
O O
N
O
OCH3
CH3
OO O
O
O
CH3 O
CH3
OOO
O
O
O
O
O
O
CH3
CH3
CH3
O OO
O
F
CH3 OH
BrCH3
N
N
N
S O
O
OH
O
O
Cl
CH3
CH3
CH3
O OO
O
CH3 OH
FCH3
N N
N+
S
O
O
OOH
F
FF
OCH3 CH3
N
O
O
OH
O
O
O
O
CH3
CH3
CH3
CH3
CH3
N+
N
NO
CH3
CH3CH3
NO
O
O
N+
N
O
CH3
CH3
CH3
CH3CH3
Page 12
NPDepo Pilot Library
No Name Structure Formula MW
193 NPD1877 C27H27NO4 429.52
194 NPD1889 C33H32N2O8 584.63
195 NPD1916 C21H19N3O4 377.40
196 NPD1919 C40H34Cl2N6O6S2 829.79
197 NPD1930 C21H23N3O3 365.44
198 NPD1936 C21H20N2O4 364.40
199 NPD2011 C25H27N7O6 521.54
200 NPD2051 C50H56N2O12 877.01
201 NPD2063 C19H20N2O5S 388.45
202 NPD2069 C34H43N3O5 573.74
203 NPD2103 C21H32N2O5S 424.56
204 NPD2156 C34H37N3O4 551.69
205 NPD2190 C26H34N4O3 450.59
206 NPD2230 C27H25ClO12 576.95
207 NPD235 C27H28O15 592.52
208 NPD2360 C20H24N2O5 372.42
O
N
O
O
O
CH3CH3
CH3
CH3
CH3
N
N+
O
O
O
O
OH
O
O
O
CH3
CH3
CH3
N
N
OO
OHONCH3
N
N
N
N
N
N+
S
S
O O
O
OH
OH
Cl
Cl
OCH3
N
N
O
O
N
OCH3
CH3
N
N
O
OH
O
O
CH3
N
N
O
N
NN N
O
OH
NH2
OH
O
OH
CH3
N
O
O
N
O
O
OO
O
O
OH
OH
OH
CH3
CH3
CH3 CH3
OCH3
CH3
CH3
CH3
CH3
CH3
O
N
O
SN
OO
CH3
O
CH3
CH3
N N
N
O
O
O
OH
O
CH3
CH3CH3
CH3
SN
O
ON
O
O
OH
CH3CH3 CH3
Chiral
N
N
N
O
OO
CH3
OCH3
CH3
CH3
NN
NOOO
NH2
CH3
CH3
O
O
O
O
O
O
O
O
O
O
O
O
Cl
CH3
CH3
CH3
CH3
O
OO
O
OO
O O
O
O
O
O
O
O
O
CH3
CH3
CH3
CH3
CH3
CH3
O
N
O
O
O
NH2
CH3
O
CH3
CH3
Page 13
NPDepo Pilot Library
No Name Structure Formula MW
209 NPD237 C17H17N5O6S 419.42
210 NPD2421 C19H17N3O5 367.36
211 NPD2444 C25H27NO6 437.50
212 NPD2496 C29H26ClN3O3 500.00
213 NPD252 C18H17BrN2O 357.25
214 NPD253 C25H25NO3 387.48
215 NPD2599 C27H27NO6 461.52
216 NPD26 C26H38N2O2 410.60
217 NPD2700 C27H29N3O3 443.55
218 NPD2724 C35H36N2O7 596.69
219 NPD2754 C23H29NO5 399.49
220 NPD2763 C26H20O7 444.45
221 NPD2775 C24H21NO6 419.44
222 NPD2787 C19H25N3O6 391.43
223 NPD280 C26H33FO8 492.55
224 NPD2819 C29H26N2O6 498.54
NN
O
N+
NN
S
O
OOH
OH
OH
N
NN
O
O
OOH OH
Chiral
OO
N
O
OCH3
OO
CH3
CH3
CH3
CH3
N
N
N O
O
CH3 Cl
O
CH3
N
N
Br
O
CH3
N
O
O
OH
O
N+
O
O
O
OOCH3
CH3
CH3
CH3
O
NN
O
CH3CH3
CH3
CH3
CH3
N N
N
O
O
O
CH3
CH3
CH3
N
O
ON
O
O
OO
OH
CH3
CH3
CH3
CH3
O
OO
ONCH3
CH3
CH3
CH3
O
CH3
CH3
O
O
O O
O
OCH3
CH3
O CH3
OO
N
O
O
OO
CH3CH3
N
NN
O
O
O
O
OH
O
CH3CH3
CH3
O
F
OO
OO
O
O
CH3
CH3 CH3
OH
CH3
CH3
OO N
N
OO
O OH
CH3
Chiral
Page 14
NPDepo Pilot Library
No Name Structure Formula MW
225 NPD2834 C24H16F3NO5 455.39
226 NPD2906 C21H20ClNO3 369.85
227 NPD2909 C24H24N4O4 432.48
228 NPD2942 C28H27NO6S 505.59
229 NPD2949 C21H17NO5 363.37
230 NPD297 C22H17NO7 407.38
231 NPD2973 C24H20N2O4 400.44
232 NPD298 C24H31NO2 365.52
233 NPD2999 C19H17NO6 355.35
234 NPD3000 C20H23N3O3S 385.49
235 NPD3003 C27H19ClO7 490.90
236 NPD3015 C23H18N2O2 354.41
237 NPD3109 C24H31N3O3 409.53
238 NPD3118 C20H26N4O5 402.45
239 NPD3120 C24H19FO8S 486.48
240 NPD3146 C23H23NO9 457.44
ON
O
O
OF
FFO
O
N
O O
Cl
CH3
CH3
CH3
CH3
N
N
N
N
O
OHOH
O
CH3
CH3
CH3
S N
O
O
O
OO
O
CH3
CH3
N
OO
OOCH2
O
NO
OO
O
O
O
O
CH3
O
N
O O
O
N
CH3
NO
O
CH3
CH3
CH3
O OO
ONH2
O O
CH3
CH3
N
O
N
ON
S
O
CH3
CH3
O
O
O
O
O
O
Cl
O CH3CH3
NN
O
O
CH3
N
N
N
O
O
OCH3 CH3
CH3 Chiral
NN
N
N
O
OO
OH
OH
CH3
CH3 Chiral
S
OO
O O
O
OO
O
F
CH3
CH3
CH3
O N
O
O
O
OO
O
OH
O
CH3
CH3
CH3
CH3
Chiral
Page 15
NPDepo Pilot Library
No Name Structure Formula MW
241 NPD316 C32H36N2O3 496.66
242 NPD3167 C27H27ClN2O5 494.98
243 NPD3179 C25H29NO5 423.51
244 NPD3182 C24H27NO5 409.49
245 NPD3199 C27H22N2O4 438.49
246 NPD3207 C30H29NO6S 531.63
247 NPD3216 C26H25NO5 431.49
248 NPD330 C24H25NO6 423.47
249 NPD3308 C20H25NO6 375.43
250 NPD3357 C26H22O7 446.46
251 NPD3371 C18H21NO7 363.37
252 NPD338 C14H19IO5 394.21
253 NPD3402 C18H23N3O6 377.40
254 NPD3433 C20H18BrNO3 400.28
255 NPD3500 C25H27NO6 437.50
256 NPD3541 C22H16FNO3 361.38
N
N
O
OO CH3
CH3
N
N
O
O
O
O
O
Cl
CH3
CH3
CH3
CH3
H
O
N+
O O
CH3
O
O
CH3
CH3
O
N+
O O
OO
CH3
CH3
CH3
O
O
O
NNO CH3
CH3
ON
OO
O
OS
OH
CH3
CH3
O
O
O
NO
O
CH3
CH3
ON
O
O
O
O
O
CH3
CH3
CH3
H
O
N
O
O
O
OH
CH3
OCH3
CH3
CH3
Chiral
O O
O
O
O
O
O
CH3
CH3
CH3
O OO
O
N
CH3
OHO
OCH3
CH3
O
O
OHOH
OH
I
CH3
NN
N
O
O
OCH3
OH
O
O
CH3
CH3
CH3
CH3
Chiral
N
O O O
CH3
Br
CH3
O
O
NO
O
O
O
CH3
CH3
CH3
Chiral
O
N
O O
F
CH3
Page 16
NPDepo Pilot Library
No Name Structure Formula MW
257 NPD3548 C19H22N2O8S 438.46
258 NPD3579 C27H25NO7S 507.57
259 NPD358 C22H24N2O5S 428.51
260 NPD363 C23H36N2O 356.56
261 NPD364 C21H17NO5 363.37
262 NPD3657 C18H31N3O4S 385.53
263 NPD3678 C28H29NO7S 523.61
264 NPD3720 C23H22N2O4 390.44
265 NPD3789 C16H18N2O4S2 366.46
266 NPD3795 C25H28N4O4 448.53
267 NPD3810 C17H17ClN2O7 396.79
268 NPD3813 C23H22ClNO7 459.89
269 NPD3849 C20H18O8 386.36
270 NPD392 C22H26N2O4 382.46
271 NPD3926 C20H25N3O7 419.44
272 NPD3938 C19H15NO6 353.33
N
O
SN O
O
O
O
O
OO
CH3CH3
Chiral
ON
O O
O
O
O
S
O
CH3
CH3
Chiral
NN
OOO
OH
S
O
CH3
CH3
N
N
O
CH3
CH3
O
N
O
O
O
CH3O
N
N
O
OO OH
NH2
SCH3 Chiral
S
O
N O
O
O
O
O
CH3
O
CH3
CH3
CH3
CH3
O
O
O
N
N
OCH3 CH3
CH3CH3
N
S
N
OO
O
OH
SCH3
H
Chiral
N
N
N
O
NO O
OCH3
CH3
CH3
O O
NN
O
O
O
Cl
CH3
OH
OCH3
O
N
OO
O
O
OH
CH3
Cl
O
CH3
CH3
O
O
O
O
O
O
O
OH
CH3
CH3
CH3
N
O ON
O
OH
CH3
CH3
N
NN
O
O
O
O
O
O
OH
CH3CH3
O
O
O
O
OO
NH2 CH3
Page 17
NPDepo Pilot Library
No Name Structure Formula MW
273 NPD4005 C21H21NO4 351.41
274 NPD4059 C26H31NO6S 485.60
275 NPD4067 C27H37NO6 471.60
276 NPD4080 C22H30N4O6 446.51
277 NPD4101 C21H19NO6 381.39
278 NPD4106 C26H22N2O3 410.48
279 NPD4109 C26H23NO4 413.48
280 NPD4152 C30H29N3O 447.59
281 NPD4153 C25H31N3O3S2 485.67
282 NPD417 C24H21NO4S 419.50
283 NPD4211 C24H23FN4O4 450.47
284 NPD422 C25H36O5 416.56
285 NPD4223 C23H15Cl2NO3 424.29
286 NPD4297 C29H46N2O11 598.70
287 NPD4328 C28H44N2O6 504.67
288 NPD4346 C24H23NO4 389.46
O
N
O O
O
CH3
CH3
S N
O
O
O
O
O
O
CH3CH3
CH3
CH3
OO ON
O
O
OH
CH3
CH3
CH3
N
N
NN
O
O O
O O
OH
CH3
CH3
CH3
CH3
Chiral
O
O
OO
N
O
CH3
OH
N
N
O
O
O
CH3
CH3
N
O
O
O
O
CH3
N N
O
N
CH3 CH3
N
N
S
N
S
OO
O
CH3
CH3
N
S
O
O
OH
CH2
OH
CH3
N
N
N
N
O
O
OCH3
F
O
CH3
CH3Chiral
O
O
O
O
O
CH3
CH3CH3
CH3
CH3
N
O
O
O
Cl
Cl
O
O
O
N
OO N
O
O
O
O
OH
OH
CH3
CH3
CH3
CH3
CH3CH3
H
HH
HH
NNO
O
OOH
OH
CH3
CH3
OHCH3
CH3
CH3H
OO O
N
O
CH3
CH3 CH3
Page 18
NPDepo Pilot Library
No Name Structure Formula MW
289 NPD438 C30H29N3O6S 559.65
290 NPD4398 C24H21NO3 371.44
291 NPD4411 C22H16O7 392.37
292 NPD447 C25H18BrNO3 460.33
293 NPD4526 C25H29NO6 439.51
294 NPD4528 C16H17NO6S 351.38
295 NPD4540 C26H24N2O5 444.49
296 NPD4546 C24H29N3O4S 455.58
297 NPD4550 C30H25N3O7 539.55
298 NPD4573 C29H27N3O4 481.56
299 NPD4576 C21H29N5O4 415.50
300 NPD4591 C23H26N4O3 406.49
301 NPD460 C19H17BrN2O2 385.26
302 NPD4609 C23H21ClN2O5 440.89
303 NPD4617 C29H28N4O4S 528.63
304 NPD4637 C25H25N3O4 431.50
N
S
O
NN
O
O
O
OO
CH3
CH3
CH3
CH3
N
O
OO
O
O
OO
O
O
CH3
O
CH3
N O
O
Br
OCH3
N
OO O
O
OOH
CH3
ON
O
O
O
OOH
S
CH3
CH3
OO
N
O
N
O
O
CH3
CH3
N
NN
O O
S
O
O
CH3
CH3
CH3
CH3
H
N
NN
O
O
O
O
O
OO
CH3
CH3
CH3CH3
NN
O
N O
O
O
CH3
CH3
CH3
NN
N
NN
O
O
O
OH
CH3CH3
CH3
CH3
Chiral
N
N
N
N
O
OH OH
N N
O
O
Br
CH3
N
N
OO
O
O
Cl
CH3
OH
N
N O
NN
S
OO
O
CH3
CH3
O
N
O
N
O
O
N CH3
CH3
Page 19
NPDepo Pilot Library
No Name Structure Formula MW
305 NPD4697 C26H16ClFN2O3 458.88
306 NPD470 C21H21NO4 351.41
307 NPD4749 C23H28N2O7 444.49
308 NPD4754 C25H22N2O5 430.46
309 NPD4756 C21H21NO6 383.40
310 NPD4763 C24H24N2O5 420.47
311 NPD477 C20H20N2O6 384.39
312 NPD4778 C24H28N2O5 424.50
313 NPD4781 C27H29NO5 447.54
314 NPD4804 C23H32NO3 370.52
315 NPD4846 C21H23NO6 385.42
316 NPD485 C25H29FO6 444.50
317 NPD4865 C22H20N2O4 376.42
318 NPD4881 C24H25NO5 407.47
319 NPD4928 C29H32N2O6 504.59
320 NPD4930 C33H36N4O6 584.68
N
N
O O
Cl
F
O
CH3
CH3
O
N
O
O
OH CH3
O
N O
O
N
O
O
O
OH
CH3
CH3
CH3
OO
N
O
N
O
CH3
OCH3
O
O
N
OCH3
O
OH
O
CH3
CH3
N
N
OOO
O
CH3
OH
N+O
N
O
O
O
O
O
CH3
CH3
CH3
CH3
O
N+
N
O O
CH3
OO
CH3
CH3
CH3
O
N
O O
O
O
CH3
CH3
N+
O
O
O
CH3
CH3
CH3
CH3
CH3
CH3
ON
OO
O
O
OH
CH3
F
O
OO
O
O
CH3
O
CH3
CH3
CH3
OO O
NN
OCH3CH3
CH3
O
O O
O
NOCH3
CH3
CH3 CH3
O
O
NO
OO
N
CH3
CH3
O
CH3CH3
CH3
N N
N
N
O
O
O
OH
O
O
CH3
CH3
CH3
Page 20
NPDepo Pilot Library
No Name Structure Formula MW
321 NPD4955 C29H23N3O4 477.52
322 NPD496 C24H26O4 378.47
323 NPD4991 C28H22N4O5 494.51
324 NPD502 C30H23FN2O9 574.52
325 NPD5022 C26H26N4O5 474.52
326 NPD5026 C25H30N2O5 438.53
327 NPD5029 C28H20ClN3O4 497.94
328 NPD503 C24H17BrO4 449.30
329 NPD506 C18H14O8 358.31
330 NPD5099 C22H26N2O5 398.46
331 NPD558 C22H31NO3 357.50
332 NPD57 C14H20N6O5 352.35
333 NPD59 C22H18O6 378.39
334 NPD593 C33H43NO8 581.71
335 NPD612 C29H18O3 414.47
336 NPD640 C24H22N4O4 430.47
N
NN
O
O
O
O
CH3
CH3
O OO
O
CH3
CH3CH3
N
N
O
N
N
O
O
O OCH3
CH3
N
N
OO
O
O
O
O
O
O
O
F
N
N
O
O
OO
O
N
NCH3
O O
N
O
O
O
NCH3
CH3
N N
N
O
O
O
Cl
OCH3CH3
O
O
O
O
Br
CH3
CH3
O
O
OH
OH
OHOH
OHOH
OO NO
O
O
NCH3CH3
ON
O O
CH3
CH3 CH3
CH3
N
N
ON
NN
O
N
OH
OH OH
O
OO
O
O
O CH3CH3
O
OO
O
O
OH
N
CH3OH
CH3OH
O OO
O
NN
N
O
O
NH2O
CH3
CH3
Page 21
NPDepo Pilot Library
No Name Structure Formula MW
337 NPD644 C22H30N2O7 434.49
338 NPD66 C17H14Br2O2 410.11
339 NPD668 C26H24N2O5 444.49
340 NPD680 C27H24O4 412.49
341 NPD685 C22H21BrO5 445.31
342 NPD718 C23H28O3 352.48
343 NPD725 C29H31NO5 473.57
344 NPD738 C20H17ClO4 356.81
345 NPD743 C26H24O6 432.48
346 NPD759 C27H31NO4 433.55
347 NPD76 C19H19NO5S 373.43
348 NPD765 C23H34N2O2 370.54
349 NPD790 C23H18N2O6 418.41
350 NPD800 C23H15BrO6 467.28
351 NPD801 C22H24ClNO3 385.89
352 NPD817 C19H26Cl2NO3 387.33
O O
O
OO
NN
O
O
CH3
CH3
CH3
CH3
CH3CH3
O
O
Br
Br
CH3
CH3
NN
O
O
OHO
O
CH3
CH3
CH3
O
O
O
O
CH3
CH3
CH3
O
O
O
O OBr
CH3
CH3
CH3
O OO
CH3
CH3
CH3
CH3
O
N
O
CH3
CH3
O
O
O
CH3
CH3
CH3
CH3
O OO
O
CH3
CH3Cl
CH3
O
O
O
O
O
O
CH3
CH3CH3 CH3
O
O O
N
OCH3
CH3
CH3
N
O
SO
O
O
O
CH3
CH3
CH3
NN
O
O
CH3 CH3
CH3
CH3
CH3
CH3
N
NO
O
O
O
O
OH
CH3
O
O
O
O
O
Br
OCH3
O
N
O
OH
Cl
CH3
CH3
CH3
CH3
N+
O
O
O Cl
CH3
Cl
H
Page 22
NPDepo Pilot Library
No Name Structure Formula MW
353 NPD832 C29H22O8 498.49
354 NPD850 C24H29NO3 379.50
355 NPD856 C24H17F3O4 426.40
356 NPD866 C21H20ClNO4 385.85
357 NPD875 C23H18O8 422.40
358 NPD884 C22H20N2O6 408.41
359 NPD89 C23H32O4 372.51
360 NPD918 C24H27N3O5 437.50
361 NPD950 C30H47NO5 501.71
362 NPD960 C28H35N3O7 525.61
363 NPD976 C23H29N3O6 443.50
364 NPD989 C21H23NO4 353.42
365 Omeprazole C17H19N3O3S 345.42
366 Penicillin G C16H18N2O4S 334.40
367 Phenolphthalein C20H14O4 318.33
368 P-Nitrophenyl-2-acetamido-2-deoxy-beta-D-glucopyranoside C14H18N2O8 342.31
O
O
O
O
O
O
O
OCH3
CH3
CH3
O
N
OOH
CH3
CH3
CH3
CH3
O OF
FF
O
OCH3
N
O
O
O
O
Cl
CH3
CH3
O
O
OO
O
O
O
O
CH3
CH3
CH3
CH3
N
N OO
O
OO
O
CH3
CH3
CH3
O
O
O
O
CH3
CH3
CH3
CH3
N
N
N
OOO
OH
O
CH3
CH3
CH3CH3
N
O
OH
O
O O
CH3
CH3 CH3
CH3
N
NN
O
O
O
CH3
CH3O
O
O
O
CH3CH3
CH3
CH3
CH3
N
N
OO
O
N
O
O
OCH3
CH3
CH3
CH3
N
O
O
OHO
CH3
CH3
CH3
N
NS N
CH3 OCH3
CH3
O
OCH3
N
S
CH3
CH3
O
N
O
OOH
O
O
OH
OH
O
O
N+
N
OH
OH
OH
O
O
CH3
O
Page 23
NPDepo Pilot Library
No Name Structure Formula MW
369 Protoporphyrin IX disodium salt C34H32N4Na2O4 606.64
370 Raubasine C21H24N2O3 352.44
371 Scopolamine C17H21NO5 319.36
372 Sennoside B C42H38O20 862.76
373 Sulfonazo III C22H16N4O14S4 688.65
374 Sulindac C20H17FO3S 356.42
375 Thalidomide C13H10N2O4 258.24
376 Tolperisone C16H23NO 245.37
NN
NNO
OCH2
CH2 CH3 O
OCH3
CH3
CH3
Na+
Na+
NN
OOCH3
O
H
HCH3
H
OH O
O N OCH3
O
O
OH OH
O
OHOH
OH
O
O
OH
OOH
O
O
OH
OOH
H
H
OH
OHOH
N
N
NN
SOH
O
O
OH OH
S
O
OHOS
OOH
OS
O
OH
O
OCH3
OHF
SCH3
O
NN
O
O
O
O
CH3
N
O
CH3
Page 24
