Details
Stereochemistry | ACHIRAL |
Molecular Formula | C30H29ClN6O4 |
Molecular Weight | 573.0431 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOc1cc2c(cc1N=C(/C(/[H])=C(\[H])/CN(=O)(C)C)O)c(=Nc3ccc(c(c3)Cl)OCc4ccccn4)c(C#N)c[nH]2
InChI
InChIKey=DREVEVQWSRJACN-VQHVLOKHSA-N
InChI=1S/C30H29ClN6O4/c1-4-40-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2,3)39)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)41-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
Molecular Formula | C30H29ClN6O4 |
Molecular Weight | 573.0431 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 14:01:59 UTC 2021
by
admin
on
Sat Jun 26 14:01:59 UTC 2021
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Record UNII |
QUH15J9Q1Q
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Record Status |
Validated (UNII)
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Record Version |
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-
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QUH15J9Q1Q
Created by
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87687267
Created by
admin on Sat Jun 26 14:01:59 UTC 2021 , Edited by admin on Sat Jun 26 14:01:59 UTC 2021
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1376615-55-2
Created by
admin on Sat Jun 26 14:01:59 UTC 2021 , Edited by admin on Sat Jun 26 14:01:59 UTC 2021
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Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
Reference: NERATINIB IC50 = 17 nM
INHIBITOR
IC50
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|
TARGET -> INHIBITOR |
Reference: NERATINIB IC50 = 2.7 nM
INHIBITOR
IC50
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TARGET -> INHIBITOR |
NERATINIB was not evaluated.
INHIBITOR
IC50
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Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> METABOLITE LESS ACTIVE |