Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H31ClN6O3 |
| Molecular Weight | 583.0811 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOc1cc2c(cc1N=C(/C(/[H])=C(\[H])/[C@@]3([H])CCCN3C)O)c(=Nc4ccc(c(c4)Cl)OCc5ccccn5)c(C#N)c[nH]2
InChI
InChIKey=SADXACCFNXBCFY-IYNHSRRRSA-N
InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1
| Molecular Formula | C32H31ClN6O3 |
| Molecular Weight | 583.0811 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 03:40:16 UTC 2021
by
admin
on
Sat Jun 26 03:40:16 UTC 2021
|
| Record UNII |
CJN36EQM0H
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C129825
Created by
admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
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NCI_THESAURUS |
C1967
Created by
admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
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NCI_THESAURUS |
C1742
Created by
admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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CHEMBL3544956
Created by
admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
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CJN36EQM0H
Created by
admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
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PRIMARY | |||
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DB14993
Created by
admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
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SUB195599
Created by
admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
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1269662-73-8
Created by
admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
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PRIMARY | |||
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C111895
Created by
admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
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PRIMARY | |||
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51039030
Created by
admin on Sat Jun 26 03:40:16 UTC 2021 , Edited by admin on Sat Jun 26 03:40:16 UTC 2021
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SALT/SOLVATE -> PARENT | |||
|
TARGET -> INHIBITOR |
IC50
|
||
|
TARGET -> INHIBITOR |
IRREVERSIBLE INHIBITOR
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
