Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C30H33ClN4O2 |
| Molecular Weight | 517.062 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)[C@@H](N(CCCN)C(=O)C1=CC=C(C)C=C1)C2=NC3=CC(Cl)=CC=C3C(=O)N2CC4=CC=CC=C4
InChI
InChIKey=QJZRFPJCWMNVAV-HHHXNRCGSA-N
InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
| Molecular Formula | C30H33ClN4O2 |
| Molecular Weight | 517.062 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:29:05 UTC 2023
by
admin
on
Fri Dec 15 16:29:05 UTC 2023
|
| Record UNII |
BKT5F9C2NI
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C67440
Created by
admin on Fri Dec 15 16:29:05 UTC 2023 , Edited by admin on Fri Dec 15 16:29:05 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C508757
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6851740
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8570
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CHEMBL2111096
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C38131
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SUB33489
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DB06188
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DTXSID20187307
Created by
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336113-53-2
Created by
admin on Fri Dec 15 16:29:05 UTC 2023 , Edited by admin on Fri Dec 15 16:29:05 UTC 2023
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BKT5F9C2NI
Created by
admin on Fri Dec 15 16:29:05 UTC 2023 , Edited by admin on Fri Dec 15 16:29:05 UTC 2023
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100000127443
Created by
admin on Fri Dec 15 16:29:05 UTC 2023 , Edited by admin on Fri Dec 15 16:29:05 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
SALT/SOLVATE -> PARENT | |||
|
TARGET -> INHIBITOR |
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
