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Chemical Name
Cas Number
EINECS Number
MDL Number
Molecular Formula
InChIKey
Smiles
Journal Title
GO
Journal of Medicinal Chemistry
5-nitro-2-thiophenecarboxylic acid
Molecular Formula:
C
5
H
3
NO
4
S
Molecular Weight:
173.149 g/mol
Cas Number:
6317-37-9
EINECS Number:
228-654-4
6,7-dimethoxy-4,4-dimethyl-2,3-dihydro-naphthalen-1-one
Molecular Formula:
C
14
H
18
O
3
Molecular Weight:
234.295 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3-oxo-4-phenylbutanoate
Molecular Formula:
C
12
H
14
O
3
Molecular Weight:
206.241 g/mol
Cas Number:
718-08-1
EINECS Number:
-
5,7-dimethoxy-4-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid
Molecular Formula:
C
13
H
14
O
5
Molecular Weight:
250.251 g/mol
Cas Number:
-
EINECS Number:
-
7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
Molecular Formula:
C
7
H
6
ClN
3
Molecular Weight:
167.598 g/mol
Cas Number:
16082-27-2
EINECS Number:
-
N-omega-Methyltryptamine
Molecular Formula:
C
11
H
14
N
2
Molecular Weight:
174.246 g/mol
Cas Number:
61-49-4
EINECS Number:
200-507-9
3-methyl-3,4-dihydro-1H-quinazolin-2-one
Molecular Formula:
C
9
H
10
N
2
O
Molecular Weight:
162.191 g/mol
Cas Number:
24365-65-9
EINECS Number:
-
1-methyl-2-pyrrolidinimine
Molecular Formula:
C
5
H
10
N
2
Molecular Weight:
98.148 g/mol
Cas Number:
-
EINECS Number:
-
spiro[4.6]undec-2-ylacetic acid
Molecular Formula:
C
13
H
22
O
2
Molecular Weight:
210.316 g/mol
Cas Number:
-
EINECS Number:
-
4-fluoro-N-phenylaniline
Molecular Formula:
C
12
H
10
FN
Molecular Weight:
187.217 g/mol
Cas Number:
330-83-6
EINECS Number:
-
N-(tert-butyl)-N'-[4-(1H-imidazol-4-yl)phenyl]imidoformamide
Molecular Formula:
C
14
H
18
N
4
Molecular Weight:
242.324 g/mol
Cas Number:
83184-14-9
EINECS Number:
-
4-[2-(dipropylamino)ethyl]-1H-indol-6-ol
Molecular Formula:
C
16
H
24
N
2
O
Molecular Weight:
260.379 g/mol
Cas Number:
94270-93-6
EINECS Number:
-
methyl 5-hydroxy-2-methyl-3-nitrobenzoate
Molecular Formula:
C
9
H
9
NO
5
Molecular Weight:
211.174 g/mol
Cas Number:
-
EINECS Number:
-
2-(4-bromo-2,5-dimethoxyphenyl)ethanamine
Molecular Formula:
C
10
H
14
BrNO
2
Molecular Weight:
260.131 g/mol
Cas Number:
66142-81-2
EINECS Number:
-
1-methyl-3-(3-methylphenyl)-1H-pyrrole-2,5-dione
Molecular Formula:
C
12
H
11
NO
2
Molecular Weight:
201.225 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclopropylacetone
Molecular Formula:
C
6
H
10
O
Molecular Weight:
98.145 g/mol
Cas Number:
4160-75-2
EINECS Number:
-
ethyl 4,6-dimethyl-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate
Molecular Formula:
C
13
H
14
O
4
Molecular Weight:
234.252 g/mol
Cas Number:
-
EINECS Number:
-
(E)-5-(tert-butoxycarbonylamino)-7-methyl-oct-3-enoic acid
Molecular Formula:
C
14
H
25
NO
4
Molecular Weight:
271.357 g/mol
Cas Number:
-
EINECS Number:
-
7-benzoyl-3-methylsulfanyl-1,3-dihydroindol-2-one
Molecular Formula:
C
16
H
13
NO
2
S
Molecular Weight:
283.351 g/mol
Cas Number:
-
EINECS Number:
-
5-methoxy-2-(4-methoxyphenyl)-1H-indole
Molecular Formula:
C
16
H
15
NO
2
Molecular Weight:
253.301 g/mol
Cas Number:
-
EINECS Number:
-
5-(4-methoxyphenyl)-2H-tetraazole
Molecular Formula:
C
8
H
8
N
4
O
Molecular Weight:
176.178 g/mol
Cas Number:
6926-51-8
EINECS Number:
-
5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
Molecular Formula:
C
15
H
13
N
3
OS
Molecular Weight:
283.354 g/mol
Cas Number:
91759-68-1
EINECS Number:
-
2-hydroxy-3-methylbenzaldehyde
Molecular Formula:
C
8
H
8
O
2
Molecular Weight:
136.15 g/mol
Cas Number:
824-42-0
EINECS Number:
-
2-hydroxy-5-iodo-3-methylbenzaldehyde
Molecular Formula:
C
8
H
7
IO
2
Molecular Weight:
262.047 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-1H-imidazole-2-carbaldehyde
Molecular Formula:
C
5
H
6
N
2
O
Molecular Weight:
110.116 g/mol
Cas Number:
13750-81-7
EINECS Number:
-
6,8-dichloro-3-methylimidazo[1,2-a]pyrazine
Molecular Formula:
C
7
H
5
Cl
2
N
3
Molecular Weight:
202.042 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-N-[(2-hydroxy-1-naphthyl)methyl]acetamide
Molecular Formula:
C
13
H
12
ClNO
2
Molecular Weight:
249.697 g/mol
Cas Number:
-
EINECS Number:
-
3-hydroxy-4-undecyl-1H-pyrrole-2,5-dione
Molecular Formula:
C
15
H
25
NO
3
Molecular Weight:
267.368 g/mol
Cas Number:
-
EINECS Number:
-
5-(4-phenyl-phenyl)-isoxazole
Molecular Formula:
C
15
H
11
NO
Molecular Weight:
221.258 g/mol
Cas Number:
-
EINECS Number:
-
1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione
Molecular Formula:
C
10
H
5
N
3
O
2
Molecular Weight:
199.169 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-imidazol-1-ylvinyl)phenol
Molecular Formula:
C
11
H
10
N
2
O
Molecular Weight:
186.213 g/mol
Cas Number:
74204-47-0
EINECS Number:
-
3-(3,4-dichlorophenyl)-1-indanone
Molecular Formula:
C
15
H
10
Cl
2
O
Molecular Weight:
277.149 g/mol
Cas Number:
80272-27-1
EINECS Number:
-
3-(4-fluorophenyl)-6-(trifluoromethyl)-1-indanone
Molecular Formula:
C
16
H
10
F
4
O
Molecular Weight:
294.248 g/mol
Cas Number:
80272-38-4
EINECS Number:
-
1-[3-(methylsulfonylmethyl)-4-oxidoquinoxalin-4-ium-2-yl]ethanone
Molecular Formula:
C
12
H
12
N
2
O
4
S
Molecular Weight:
280.304 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3-fluoro-4-[(1E)-2-methyl-3-oxo-1-propenyl]benzoate
Molecular Formula:
C
13
H
13
FO
3
Molecular Weight:
236.243 g/mol
Cas Number:
-
EINECS Number:
-
2-[(benzylamino)methyl]succinic acid
Molecular Formula:
C
12
H
15
NO
4
Molecular Weight:
237.255 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-1-fluoro-3-penten-2-amine
Molecular Formula:
C
5
H
10
FN
Molecular Weight:
103.14 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-2-amino-2-(fluoromethyl)-3-pentenenitrile
Molecular Formula:
C
6
H
9
FN
2
Molecular Weight:
128.149 g/mol
Cas Number:
-
EINECS Number:
-
N-(2,6-dimethyl-3-nitrophenyl)acetamide
Molecular Formula:
C
10
H
12
N
2
O
3
Molecular Weight:
208.217 g/mol
Cas Number:
5416-12-6
EINECS Number:
-
2-oxo-2-phenylacetic acid
Molecular Formula:
C
8
H
6
O
3
Molecular Weight:
150.134 g/mol
Cas Number:
611-73-4
EINECS Number:
210-278-7
Khellin
Molecular Formula:
C
14
H
12
O
5
Molecular Weight:
260.246 g/mol
Cas Number:
82-02-0
EINECS Number:
201-392-8
6-methoxy-5-nitroquinazoline
Molecular Formula:
C
9
H
7
N
3
O
3
Molecular Weight:
205.173 g/mol
Cas Number:
-
EINECS Number:
-
6-methoxy-5-quinazolinamine
Molecular Formula:
C
9
H
9
N
3
O
Molecular Weight:
175.19 g/mol
Cas Number:
-
EINECS Number:
-
6-methoxy-5,8-quinazolinedione
Molecular Formula:
C
9
H
6
N
2
O
3
Molecular Weight:
190.158 g/mol
Cas Number:
-
EINECS Number:
-
6-methoxy-3,4-dihydro-5-quinazolinamine
Molecular Formula:
C
9
H
11
N
3
O
Molecular Weight:
177.206 g/mol
Cas Number:
-
EINECS Number:
-
2-(3-methyl-2-butenoyl)cyclopentanecarboxylic acid
Molecular Formula:
C
11
H
16
O
3
Molecular Weight:
196.246 g/mol
Cas Number:
-
EINECS Number:
-
4-acetyl-3-methyl-5-(4-methylphenyl)-4H-1,2,4-triazole
Molecular Formula:
C
12
H
13
N
3
O
Molecular Weight:
215.255 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 4-isocyanato-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Molecular Formula:
C
11
H
14
N
2
O
3
Molecular Weight:
222.244 g/mol
Cas Number:
-
EINECS Number:
-
3-piperazin-1-yl-1H-quinoxalin-2-one
Molecular Formula:
C
12
H
14
N
4
O
Molecular Weight:
230.27 g/mol
Cas Number:
-
EINECS Number:
-
5-fluoro-2-piperazin-1-ylquinoxaline
Molecular Formula:
C
12
H
13
FN
4
Molecular Weight:
232.261 g/mol
Cas Number:
-
EINECS Number:
-
2-[3-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]acetic acid
Molecular Formula:
C
9
H
13
NO
4
S
Molecular Weight:
231.273 g/mol
Cas Number:
-
EINECS Number:
-
3-methylene-2-pyrrolidinone
Molecular Formula:
C
5
H
7
NO
Molecular Weight:
97.117 g/mol
Cas Number:
-
EINECS Number:
-
2-(3,5-dimethoxybenzyl)succinic acid
Molecular Formula:
C
13
H
16
O
6
Molecular Weight:
268.266 g/mol
Cas Number:
-
EINECS Number:
-
9-chloro-7,8-dihydro-6H-chromeno[3',4':4,5]thieno[2,3-d]pyrimidine
Molecular Formula:
C
13
H
9
ClN
2
OS
Molecular Weight:
276.746 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
Molecular Formula:
C
11
H
8
ClNO
2
Molecular Weight:
221.643 g/mol
Cas Number:
15518-76-0
EINECS Number:
-
1-(1-phenylcyclohexyl)-4-piperidinol
Molecular Formula:
C
17
H
25
NO
Molecular Weight:
259.392 g/mol
Cas Number:
60232-85-1
EINECS Number:
-
2-amino-6-nitrobenzonitrile
Molecular Formula:
C
7
H
5
N
3
O
2
Molecular Weight:
163.136 g/mol
Cas Number:
63365-23-1
EINECS Number:
-
methyl 4-(2-thienylsulfanyl)phenyl sulfone
Molecular Formula:
C
11
H
10
O
2
S
3
Molecular Weight:
270.397 g/mol
Cas Number:
-
EINECS Number:
-
(2-amino-2,3-dihydro-1H-benzimidazol-5-yl)(phenyl)methanone
Molecular Formula:
C
14
H
13
N
3
O
Molecular Weight:
239.277 g/mol
Cas Number:
-
EINECS Number:
-
4-[(2,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol
Molecular Formula:
C
14
H
17
N
3
O
3
Molecular Weight:
275.307 g/mol
Cas Number:
-
EINECS Number:
-
1-(tert-butylamino)-3-isobutoxy-2-propanol
Molecular Formula:
C
11
H
25
NO
2
Molecular Weight:
203.325 g/mol
Cas Number:
-
EINECS Number:
-
5-(5-amino-6-chloro-2-pyrazinyl)-1,2,4-oxadiazol-3-ylamine
Molecular Formula:
C
6
H
5
ClN
6
O
Molecular Weight:
212.598 g/mol
Cas Number:
-
EINECS Number:
-
7-chloro-4H-thieno[3,4-b][1,5]benzodiazepin-10-amine
Molecular Formula:
C
11
H
8
ClN
3
S
Molecular Weight:
249.723 g/mol
Cas Number:
-
EINECS Number:
-
methyl 4-(2-aminoanilino)-3-thiophenecarboxylate
Molecular Formula:
C
12
H
12
N
2
O
2
S
Molecular Weight:
248.306 g/mol
Cas Number:
-
EINECS Number:
-
2H-naphtho[2,3-d][1,3]oxazine-2,4(1H)-dione
Molecular Formula:
C
12
H
7
NO
3
Molecular Weight:
213.193 g/mol
Cas Number:
29753-32-0
EINECS Number:
-
1-(4-methoxyphenyl)-1H-pyrrole
Molecular Formula:
C
11
H
11
NO
Molecular Weight:
173.214 g/mol
Cas Number:
5145-71-1
EINECS Number:
-
ethyl [5-(4-chlorophenyl)-2-thienyl](oxo)acetate
Molecular Formula:
C
14
H
11
ClO
3
S
Molecular Weight:
294.758 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-phenylpropan-2-ylideneamino)-3H-indol-2-one
Molecular Formula:
C
17
H
16
N
2
O
Molecular Weight:
264.327 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2-methyl-3-phenyl-1H-indol-7-yl)acetate
Molecular Formula:
C
19
H
19
NO
2
Molecular Weight:
293.365 g/mol
Cas Number:
-
EINECS Number:
-
7-benzoyl-1,3-dihydro-2H-indol-2-one
Molecular Formula:
C
15
H
11
NO
2
Molecular Weight:
237.258 g/mol
Cas Number:
51135-38-7
EINECS Number:
-
2,3,5,6-tetrachloro-4-hydroxybenzonitrile
Molecular Formula:
C
7
HCl
4
NO
Molecular Weight:
256.902 g/mol
Cas Number:
-
EINECS Number:
-
methyl 5-(cyanomethyl)-1H-pyrazole-4-carboxylate
Molecular Formula:
C
7
H
7
N
3
O
2
Molecular Weight:
165.152 g/mol
Cas Number:
-
EINECS Number:
-
6-amino-1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-one
Molecular Formula:
C
6
H
6
N
4
O
Molecular Weight:
150.14 g/mol
Cas Number:
-
EINECS Number:
-
(10-oxo-4,10-dihydrothieno[3,2-c][1]benzoxepin-8-yl)acetic acid
Molecular Formula:
C
14
H
10
O
4
S
Molecular Weight:
274.297 g/mol
Cas Number:
-
EINECS Number:
-
5,5-dithiophen-2-yl-imidazolidine-2,4-dione
Molecular Formula:
C
11
H
8
N
2
O
2
S
2
Molecular Weight:
264.329 g/mol
Cas Number:
62032-07-9
EINECS Number:
-
4-decyl-1,2,4-dithiazinane-3-thione
Molecular Formula:
C
13
H
25
NS
3
Molecular Weight:
291.546 g/mol
Cas Number:
62911-20-0
EINECS Number:
-
2,5-dimethyl-1-phenyl-1H-pyrrole
Molecular Formula:
C
12
H
13
N
Molecular Weight:
171.242 g/mol
Cas Number:
83-24-9
EINECS Number:
201-461-2
2-benzyl-4a-chloro-2,3,4,4a-tetrahydro-1H-beta-carboline
Molecular Formula:
C
18
H
17
ClN
2
Molecular Weight:
296.799 g/mol
Cas Number:
-
EINECS Number:
-
2-bromo-1-(2,5-dichloro-3-thienyl)ethanone
Molecular Formula:
C
6
H
3
BrCl
2
OS
Molecular Weight:
273.965 g/mol
Cas Number:
-
EINECS Number:
-
5-ethyl-5H-dibenzo[b,f]azepine-10-carbonitrile
Molecular Formula:
C
17
H
14
N
2
Molecular Weight:
246.312 g/mol
Cas Number:
-
EINECS Number:
-
3-(4-chlorophenyl)-1,2,4,5-tetraazine
Molecular Formula:
C
8
H
5
ClN
4
Molecular Weight:
192.607 g/mol
Cas Number:
-
EINECS Number:
-
3-(3-methoxyphenyl)-1,2,4,5-tetraazine
Molecular Formula:
C
9
H
8
N
4
O
Molecular Weight:
188.189 g/mol
Cas Number:
-
EINECS Number:
-
1-(3,4-dichlorophenyl)-N-ethylmethanimine
Molecular Formula:
C
9
H
9
Cl
2
N
Molecular Weight:
202.083 g/mol
Cas Number:
-
EINECS Number:
-
1-(3,4-dichlorophenyl)-N-ethyl-2-phenylethanamine
Molecular Formula:
C
16
H
17
Cl
2
N
Molecular Weight:
294.223 g/mol
Cas Number:
-
EINECS Number:
-
Lomustine
Molecular Formula:
C
9
H
16
ClN
3
O
2
Molecular Weight:
233.698 g/mol
Cas Number:
13010-47-4
EINECS Number:
235-859-2
N-[2,4-bis(chloromethyl)-5-methylbenzyl]acetamide
Molecular Formula:
C
12
H
15
Cl
2
NO
Molecular Weight:
260.163 g/mol
Cas Number:
55399-02-5
EINECS Number:
-
ethyl 6-phenyl-4H-chromene-2-carboxylate
Molecular Formula:
C
18
H
16
O
3
Molecular Weight:
280.323 g/mol
Cas Number:
-
EINECS Number:
-
3-(4-phenyl-phenoxy)-tetrahydro-furan-2-one
Molecular Formula:
C
16
H
14
O
3
Molecular Weight:
254.285 g/mol
Cas Number:
-
EINECS Number:
-
N-(4-oxo-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)acetamide
Molecular Formula:
C
11
H
10
N
2
O
3
Molecular Weight:
218.212 g/mol
Cas Number:
-
EINECS Number:
-
5-phenyl-2-piperazin-1-yl-oxazol-4-one
Molecular Formula:
C
13
H
15
N
3
O
2
Molecular Weight:
245.281 g/mol
Cas Number:
-
EINECS Number:
-
7-chloro-2-(trifluoromethyl)-4H-3,1-benzoxazin-4-one
Molecular Formula:
C
9
H
3
ClF
3
NO
2
Molecular Weight:
249.576 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-3-ol
Molecular Formula:
C
15
H
20
N
2
O
Molecular Weight:
244.337 g/mol
Cas Number:
-
EINECS Number:
-
2-[2-(4-fluorophenyl)-5-nitro-1H-imidazol-1-yl]ethyl acetate
Molecular Formula:
C
13
H
12
FN
3
O
4
Molecular Weight:
293.255 g/mol
Cas Number:
-
EINECS Number:
-
Flunidazole
Molecular Formula:
C
11
H
10
FN
3
O
3
Molecular Weight:
251.217 g/mol
Cas Number:
4548-15-6
EINECS Number:
-
(2-amino-4-methyl-3-thienyl)(2-thienyl)methanone
Molecular Formula:
C
10
H
9
NOS
2
Molecular Weight:
223.32 g/mol
Cas Number:
-
EINECS Number:
-
(chloro-ethoxymethyl)benzene
Molecular Formula:
C
9
H
11
ClO
Molecular Weight:
170.638 g/mol
Cas Number:
-
EINECS Number:
-
2-ethoxy-2-phenylacetonitrile
Molecular Formula:
C
10
H
11
NO
Molecular Weight:
161.203 g/mol
Cas Number:
-
EINECS Number:
-
2,6-dimethyl-1H-indol-5-ol
Molecular Formula:
C
10
H
11
NO
Molecular Weight:
161.203 g/mol
Cas Number:
-
EINECS Number:
-
7-(chloromethyl)-2,4-pteridinediamine
Molecular Formula:
C
7
H
7
ClN
6
Molecular Weight:
210.626 g/mol
Cas Number:
-
EINECS Number:
-
1-benzyl-3-(3-chlorophenoxy)pyrrolidine
Molecular Formula:
C
17
H
18
ClNO
Molecular Weight:
287.789 g/mol
Cas Number:
-
EINECS Number:
-
1
2
3
4
5
6
7
8
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