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emSynthesis
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emical database
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Chemical Name
Cas Number
EINECS Number
MDL Number
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InChIKey
Smiles
Journal Title
GO
Journal of Medicinal Chemistry - 1163 compounds - page 2
3,3-diethoxypropanamide
Molecular Formula:
C
7
H
15
NO
3
Molecular Weight:
161.201 g/mol
Cas Number:
-
EINECS Number:
-
1-dimethylamino-3-phenyl-1,3-dihydro-indol-2-one
Molecular Formula:
C
16
H
16
N
2
O
Molecular Weight:
252.316 g/mol
Cas Number:
-
EINECS Number:
-
3-(5-nitro-2-furyl)propanoic acid
Molecular Formula:
C
7
H
7
NO
5
Molecular Weight:
185.136 g/mol
Cas Number:
38898-06-5
EINECS Number:
-
ethyl 2-(2-ethoxy-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylate
Molecular Formula:
C
13
H
19
NO
4
Molecular Weight:
253.298 g/mol
Cas Number:
33369-26-5
EINECS Number:
-
5-benzyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
Molecular Formula:
C
14
H
14
N
4
S
Molecular Weight:
270.358 g/mol
Cas Number:
-
EINECS Number:
-
(2-amino-5-methyl-3-thienyl)(2-chlorophenyl)methanone
Molecular Formula:
C
12
H
10
ClNOS
Molecular Weight:
251.736 g/mol
Cas Number:
14394-70-8
EINECS Number:
-
4-Chloro-3-fluoro-2,6-lutidine
Molecular Formula:
C
7
H
8
FNO
Molecular Weight:
141.145 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-methyl-2-oxohydrazino)-5-nitropyridine
Molecular Formula:
C
6
H
6
N
4
O
3
Molecular Weight:
182.139 g/mol
Cas Number:
-
EINECS Number:
-
2,3,5,6-tetrahydro-1H-imidazo[2,1-b][1,3]benzodiazepine
Molecular Formula:
C
11
H
13
N
3
Molecular Weight:
187.244 g/mol
Cas Number:
-
EINECS Number:
-
5-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
Molecular Formula:
C
10
H
12
N
2
OS
Molecular Weight:
208.284 g/mol
Cas Number:
41136-03-2
EINECS Number:
-
2-(acetyloxy)-4-[2-(methylamino)ethyl]phenyl acetate
Molecular Formula:
C
13
H
17
NO
4
Molecular Weight:
251.282 g/mol
Cas Number:
-
EINECS Number:
-
3-(2-chloroethyl)-3,4-dihydro-2-quinolinyl ethyl ether
Molecular Formula:
C
13
H
16
ClNO
Molecular Weight:
237.729 g/mol
Cas Number:
-
EINECS Number:
-
2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinoline
Molecular Formula:
C
11
H
12
N
2
Molecular Weight:
172.23 g/mol
Cas Number:
-
EINECS Number:
-
6-chloro-3,3,8-trimethyl-1,5-dihydro[1,3]dioxepino[5,6-c]pyridin-9-ol
Molecular Formula:
C
11
H
14
ClNO
3
Molecular Weight:
243.69 g/mol
Cas Number:
-
EINECS Number:
-
5-formyl-2-furonitrile
Molecular Formula:
C
6
H
3
NO
2
Molecular Weight:
121.095 g/mol
Cas Number:
42061-89-2
EINECS Number:
-
5-formyl-2-furansulfonamide
Molecular Formula:
C
5
H
5
NO
4
S
Molecular Weight:
175.165 g/mol
Cas Number:
-
EINECS Number:
-
2-amino-2-adamantanecarboxylic acid
Molecular Formula:
C
11
H
17
NO
2
Molecular Weight:
195.262 g/mol
Cas Number:
42381-05-5
EINECS Number:
-
Piperonyl chloride
Molecular Formula:
C
8
H
7
ClO
2
Molecular Weight:
170.595 g/mol
Cas Number:
20850-43-5
EINECS Number:
244-081-2
(1Z)-1,2-cyclodecanedione 1-oxime
Molecular Formula:
C
10
H
17
NO
2
Molecular Weight:
183.251 g/mol
Cas Number:
-
EINECS Number:
-
1,2-cyclodecanedione
Molecular Formula:
C
10
H
16
O
2
Molecular Weight:
168.236 g/mol
Cas Number:
96-01-5
EINECS Number:
-
oxo(2,4,5-trimethyl-3-thienyl)acetic acid
Molecular Formula:
C
9
H
10
O
3
S
Molecular Weight:
198.243 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (acetylamino)(2-methyl-1,3-thiazol-4-yl)acetate
Molecular Formula:
C
10
H
14
N
2
O
3
S
Molecular Weight:
242.299 g/mol
Cas Number:
-
EINECS Number:
-
2,2,2-trimethoxy-1-(3-methyl-5-isothiazolyl)ethylamine
Molecular Formula:
C
9
H
16
N
2
O
3
S
Molecular Weight:
232.304 g/mol
Cas Number:
-
EINECS Number:
-
amino(2-aminophenyl)acetic acid
Molecular Formula:
C
8
H
10
N
2
O
2
Molecular Weight:
166.18 g/mol
Cas Number:
-
EINECS Number:
-
3-amino-1,3-dihydro-2H-indol-2-one
Molecular Formula:
C
8
H
8
N
2
O
Molecular Weight:
148.164 g/mol
Cas Number:
117069-75-7
EINECS Number:
-
3-amino-1-hydroxy-1,3-dihydro-2H-indol-2-one
Molecular Formula:
C
8
H
8
N
2
O
2
Molecular Weight:
164.164 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-3-pyrrolidinyl chloridocarbonate
Molecular Formula:
C
6
H
10
ClNO
2
Molecular Weight:
163.604 g/mol
Cas Number:
-
EINECS Number:
-
5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one
Molecular Formula:
C
6
H
10
ClNO
2
Molecular Weight:
163.604 g/mol
Cas Number:
-
EINECS Number:
-
1-isopropyl-4-phenyl-3,4-dihydro-1H-quinazoline-2-thione
Molecular Formula:
C
17
H
18
N
2
S
Molecular Weight:
282.409 g/mol
Cas Number:
-
EINECS Number:
-
6-(furan-2-yl)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
Molecular Formula:
C
11
H
15
N
5
O
Molecular Weight:
233.273 g/mol
Cas Number:
50372-47-9
EINECS Number:
-
1,3-benzothiazol-6-yl methyl ether
Molecular Formula:
C
8
H
7
NOS
Molecular Weight:
165.216 g/mol
Cas Number:
2942-13-4
EINECS Number:
-
3-thiophenecarbaldehyde
Molecular Formula:
C
5
H
4
OS
Molecular Weight:
112.152 g/mol
Cas Number:
498-62-4
EINECS Number:
207-865-5
6,8-dichloronaphtho[1,2-b]thiophene-4-carboxylic acid
Molecular Formula:
C
13
H
6
Cl
2
O
2
S
Molecular Weight:
297.161 g/mol
Cas Number:
-
EINECS Number:
-
3-ethyl-1-oxazol-2-yl-thiourea
Molecular Formula:
C
6
H
9
N
3
OS
Molecular Weight:
171.223 g/mol
Cas Number:
32093-89-3
EINECS Number:
-
5-amino-1-cyclopentyl-N'-phenylmethoxyimidazole-4-carboximidamide
Molecular Formula:
C
16
H
21
N
5
O
Molecular Weight:
299.376 g/mol
Cas Number:
36125-57-2
EINECS Number:
-
ethyl 3-cyano-2-oxo-6-propyl-1,2-dihydro-4-pyridinecarboxylate
Molecular Formula:
C
12
H
14
N
2
O
3
Molecular Weight:
234.255 g/mol
Cas Number:
-
EINECS Number:
-
(4-methoxyphenyl)acetonitrile
Molecular Formula:
C
9
H
9
NO
Molecular Weight:
147.177 g/mol
Cas Number:
104-47-2
EINECS Number:
203-206-0
4-Methoxyphenethylamine
Molecular Formula:
C
9
H
13
NO
Molecular Weight:
151.208 g/mol
Cas Number:
55-81-2
EINECS Number:
200-245-5
8-(trifluoromethyl)naphtho[2,1-b]thiophene-4-carboxylic acid
Molecular Formula:
C
14
H
7
F
3
O
2
S
Molecular Weight:
296.27 g/mol
Cas Number:
-
EINECS Number:
-
7-chloro-6-methoxy-2-(2-oxiranyl)quinoline
Molecular Formula:
C
12
H
10
ClNO
2
Molecular Weight:
235.67 g/mol
Cas Number:
-
EINECS Number:
-
5,5'-dimethoxy-2,3-dihydro-1H,1'H-2,3'-biindole
Molecular Formula:
C
18
H
18
N
2
O
2
Molecular Weight:
294.353 g/mol
Cas Number:
-
EINECS Number:
-
5-(3-hydroxypropyl)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol
Molecular Formula:
C
18
H
20
O
2
Molecular Weight:
268.356 g/mol
Cas Number:
-
EINECS Number:
-
2-(1H-tetraazol-5-yl)-4H-chromen-4-one
Molecular Formula:
C
10
H
6
N
4
O
2
Molecular Weight:
214.183 g/mol
Cas Number:
33543-91-8
EINECS Number:
-
4-oxo-4H-chromene-2-carbonyl chloride
Molecular Formula:
C
10
H
5
ClO
3
Molecular Weight:
208.601 g/mol
Cas Number:
5112-47-0
EINECS Number:
-
9H-fluoren-2-ylacetic acid
Molecular Formula:
C
15
H
12
O
2
Molecular Weight:
224.259 g/mol
Cas Number:
-
EINECS Number:
-
2-(9H-fluoren-2-yl)acrylic acid
Molecular Formula:
C
16
H
12
O
2
Molecular Weight:
236.27 g/mol
Cas Number:
-
EINECS Number:
-
2-(9H-fluoren-2-yl)-2-hydroxypropanoic acid
Molecular Formula:
C
16
H
14
O
3
Molecular Weight:
254.285 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-methyl-2-nitro-1H-imidazol-5-yl)-1-phenylethanol
Molecular Formula:
C
12
H
13
N
3
O
3
Molecular Weight:
247.254 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-2-nitro-5-styryl-1H-imidazole
Molecular Formula:
C
12
H
11
N
3
O
2
Molecular Weight:
229.238 g/mol
Cas Number:
40361-82-8
EINECS Number:
-
4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Molecular Formula:
C
10
H
17
NO
2
Molecular Weight:
183.251 g/mol
Cas Number:
-
EINECS Number:
-
4-pentylproline
Molecular Formula:
C
10
H
19
NO
2
Molecular Weight:
185.266 g/mol
Cas Number:
-
EINECS Number:
-
7-ethynyl-2,2,4-trimethyl[1,3]dioxolo[4,5-c]pyridine
Molecular Formula:
C
11
H
11
NO
2
Molecular Weight:
189.214 g/mol
Cas Number:
-
EINECS Number:
-
7-[(E)-2-bromoethenyl]-2,2,4-trimethyl[1,3]dioxolo[4,5-c]pyridine
Molecular Formula:
C
11
H
12
BrNO
2
Molecular Weight:
270.126 g/mol
Cas Number:
-
EINECS Number:
-
5-cyclohexyl-1-indanecarboxylic acid
Molecular Formula:
C
16
H
20
O
2
Molecular Weight:
244.334 g/mol
Cas Number:
28968-05-0
EINECS Number:
-
6-chloro-5-cyclohexyl-1-indanecarboxylic acid
Molecular Formula:
C
16
H
19
ClO
2
Molecular Weight:
278.778 g/mol
Cas Number:
28968-07-2
EINECS Number:
-
5-amino-1-cyclopentyl-1H-imidazole-4-carboxamide
Molecular Formula:
C
9
H
14
N
4
O
Molecular Weight:
194.237 g/mol
Cas Number:
37642-55-0
EINECS Number:
-
10-(4-methyl-1-piperazinyl)-5H-dibenzo[b,f]azepine
Molecular Formula:
C
19
H
21
N
3
Molecular Weight:
291.396 g/mol
Cas Number:
-
EINECS Number:
-
(2Z)-2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
Molecular Formula:
C
20
H
23
N
Molecular Weight:
277.409 g/mol
Cas Number:
30223-73-5
EINECS Number:
-
5-ethyl-2-methyl-4,4-diphenyl-3,4-dihydro-2H-pyrrole
Molecular Formula:
C
19
H
21
N
Molecular Weight:
263.382 g/mol
Cas Number:
30223-74-6
EINECS Number:
-
5-amino-2-methyl-benzofuran-3-one
Molecular Formula:
C
9
H
9
NO
2
Molecular Weight:
163.176 g/mol
Cas Number:
-
EINECS Number:
-
5-dimethylamino-2-methyl-benzofuran-3-one
Molecular Formula:
C
11
H
13
NO
2
Molecular Weight:
191.23 g/mol
Cas Number:
-
EINECS Number:
-
N-(2-amino-1-methylsulfanyl-2-oxoethyl)-4-nitrobenzamide
Molecular Formula:
C
10
H
11
N
3
O
4
S
Molecular Weight:
269.281 g/mol
Cas Number:
31666-20-3
EINECS Number:
-
5-(4,5-dimethoxy-2-methylbenzyl)-2,4-pyrimidinediamine
Molecular Formula:
C
14
H
18
N
4
O
2
Molecular Weight:
274.323 g/mol
Cas Number:
6981-18-6
EINECS Number:
230-246-6
2-azonanecarboxylic acid
Molecular Formula:
C
9
H
17
NO
2
Molecular Weight:
171.24 g/mol
Cas Number:
14026-65-4
EINECS Number:
-
N-methylene-1-adamantanamine
Molecular Formula:
C
11
H
17
N
Molecular Weight:
163.263 g/mol
Cas Number:
-
EINECS Number:
-
N-benzyladamantan-1-amine
Molecular Formula:
C
17
H
23
N
Molecular Weight:
241.376 g/mol
Cas Number:
3717-60-0
EINECS Number:
-
N-(1-adamantyl)-2-phenylacetamide
Molecular Formula:
C
18
H
23
NO
Molecular Weight:
269.387 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-adamantyl)-2-pyrrolidinone
Molecular Formula:
C
14
H
21
NO
Molecular Weight:
219.327 g/mol
Cas Number:
-
EINECS Number:
-
8-(2,4-dimethyl-1H-pyrrol-1-yl)octylamine
Molecular Formula:
C
14
H
26
N
2
Molecular Weight:
222.374 g/mol
Cas Number:
-
EINECS Number:
-
6-Chlorochromone-2-carboxylic acid
Molecular Formula:
C
10
H
5
ClO
4
Molecular Weight:
224.6 g/mol
Cas Number:
5006-45-1
EINECS Number:
-
6-chloro-4-oxo-2-chromanecarboxylic acid
Molecular Formula:
C
10
H
7
ClO
4
Molecular Weight:
226.616 g/mol
Cas Number:
33607-91-9
EINECS Number:
-
6-methyl-1,3-dihydrothieno[3,4-c]pyridine-1,7-diol
Molecular Formula:
C
8
H
9
NO
2
S
Molecular Weight:
183.231 g/mol
Cas Number:
-
EINECS Number:
-
7-chloro-2-methyl-2H-1,2-benzothiazin-3(4H)-one 1,1-dioxide
Molecular Formula:
C
9
H
8
ClNO
3
S
Molecular Weight:
245.686 g/mol
Cas Number:
-
EINECS Number:
-
1-isopropyl-2-methyl-4-nitro-1H-imidazole
Molecular Formula:
C
7
H
11
N
3
O
2
Molecular Weight:
169.183 g/mol
Cas Number:
35179-52-3
EINECS Number:
-
1-isopropyl-2-methyl-5-nitro-1H-imidazole
Molecular Formula:
C
7
H
11
N
3
O
2
Molecular Weight:
169.183 g/mol
Cas Number:
-
EINECS Number:
-
4-(trifluoromethyl)-1,3-oxazol-2-amine
Molecular Formula:
C
4
H
3
F
3
N
2
O
Molecular Weight:
152.076 g/mol
Cas Number:
35629-71-1
EINECS Number:
-
4-methyl-1,3-oxazol-2-amine
Molecular Formula:
C
4
H
6
N
2
O
Molecular Weight:
98.105 g/mol
Cas Number:
35629-70-0
EINECS Number:
-
N-allyl-N-benzylamine
Molecular Formula:
C
10
H
13
N
Molecular Weight:
147.22 g/mol
Cas Number:
4383-22-6
EINECS Number:
-
N-(2-propionylphenyl)benzamide
Molecular Formula:
C
16
H
15
NO
2
Molecular Weight:
253.301 g/mol
Cas Number:
-
EINECS Number:
-
5,11-dihydro-10H-indeno[1,2-b]quinolin-10-one
Molecular Formula:
C
16
H
11
NO
Molecular Weight:
233.269 g/mol
Cas Number:
-
EINECS Number:
-
10-chloro-11H-indeno[1,2-b]quinoline
Molecular Formula:
C
16
H
10
ClN
Molecular Weight:
251.715 g/mol
Cas Number:
35639-26-0
EINECS Number:
-
11H-indeno[1,2-b]quinoline
Molecular Formula:
C
16
H
11
N
Molecular Weight:
217.27 g/mol
Cas Number:
243-51-6
EINECS Number:
-
methyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
Molecular Formula:
C
10
H
9
NO
5
S
Molecular Weight:
255.251 g/mol
Cas Number:
35511-14-9
EINECS Number:
252-600-9
6-(chloromethyl)-11H-dibenzo[b,e]azepine
Molecular Formula:
C
15
H
12
ClN
Molecular Weight:
241.72 g/mol
Cas Number:
21535-44-4
EINECS Number:
-
5,6-dihydrodibenzo[b,f]azocin-6-ylmethanamine
Molecular Formula:
C
16
H
16
N
2
Molecular Weight:
236.317 g/mol
Cas Number:
-
EINECS Number:
-
dibenzo[b,f]azocine-6-carbonitrile
Molecular Formula:
C
16
H
10
N
2
Molecular Weight:
230.269 g/mol
Cas Number:
-
EINECS Number:
-
6-chlorodibenzo[b,f]azocine
Molecular Formula:
C
15
H
10
ClN
Molecular Weight:
239.704 g/mol
Cas Number:
-
EINECS Number:
-
Mianserin
Molecular Formula:
C
18
H
20
N
2
Molecular Weight:
264.37 g/mol
Cas Number:
78684-63-6
EINECS Number:
-
8-piperidin-1-yl-quinoline-5,6-dione
Molecular Formula:
C
14
H
14
N
2
O
2
Molecular Weight:
242.277 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclohexene-1-carboxylic acid
Molecular Formula:
C
7
H
10
O
2
Molecular Weight:
126.155 g/mol
Cas Number:
636-82-8
EINECS Number:
-
1-bromocyclohexanecarboxylic acid
Molecular Formula:
C
7
H
11
BrO
2
Molecular Weight:
207.067 g/mol
Cas Number:
-
EINECS Number:
-
4-(2-dimethylaminoethyl)-2,6-dimethoxyphenol
Molecular Formula:
C
12
H
19
NO
3
Molecular Weight:
225.288 g/mol
Cas Number:
-
EINECS Number:
-
6-phenyl-5H-dibenzo[c,e]azepine-5,7(6H)-dione
Molecular Formula:
C
20
H
13
NO
2
Molecular Weight:
299.329 g/mol
Cas Number:
27022-16-8
EINECS Number:
-
(1Z)-N'-hydroxy-2-(3,4,5-trimethoxybenzyl)-4-pentenimidamide
Molecular Formula:
C
15
H
22
N
2
O
4
Molecular Weight:
294.351 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 1-(4-chlorobenzyl)cyclopropanecarboxylate
Molecular Formula:
C
13
H
15
ClO
2
Molecular Weight:
238.714 g/mol
Cas Number:
-
EINECS Number:
-
(4-amino-2-cyclopentyl-5-pyrimidinyl)methanol
Molecular Formula:
C
10
H
15
N
3
O
Molecular Weight:
193.249 g/mol
Cas Number:
-
EINECS Number:
-
(2Z)-2-butenediperoxoic acid
Molecular Formula:
C
4
H
4
O
6
Molecular Weight:
148.072 g/mol
Cas Number:
-
EINECS Number:
-
3,7-dichloro-10,11-dihydro-5H-dibenzo[b,f]azepine
Molecular Formula:
C
14
H
11
Cl
2
N
Molecular Weight:
264.153 g/mol
Cas Number:
-
EINECS Number:
-
10-Methoxyiminostilbene
Molecular Formula:
C
15
H
13
NO
Molecular Weight:
223.274 g/mol
Cas Number:
4698-11-7
EINECS Number:
225-172-6
5,11-dihydro-10H-dibenzo[b,f]azepin-10-one
Molecular Formula:
C
14
H
11
NO
Molecular Weight:
209.247 g/mol
Cas Number:
21737-58-6
EINECS Number:
-
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4
5
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7
8
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