Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H23N5S |
| Molecular Weight | 377.506 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H]([C@@H](N1C=CN=C1)C2=CC=C(NC3=NC4=CC=CC=C4S3)C=C2)N(C)C
InChI
InChIKey=WGVPSTQRQHGEEP-MGPUTAFESA-N
InChI=1S/C21H23N5S/c1-15(25(2)3)20(26-13-12-22-14-26)16-8-10-17(11-9-16)23-21-24-18-6-4-5-7-19(18)27-21/h4-15,20H,1-3H3,(H,23,24)/t15-,20+/m0/s1
| Molecular Formula | C21H23N5S |
| Molecular Weight | 377.506 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:08:55 GMT 2023
by
admin
on
Sat Dec 16 09:08:55 GMT 2023
|
| Record UNII |
NIL6PST6V7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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NIL6PST6V7
Created by
admin on Sat Dec 16 09:08:55 GMT 2023 , Edited by admin on Sat Dec 16 09:08:55 GMT 2023
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PRIMARY | |||
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201410-54-0
Created by
admin on Sat Dec 16 09:08:55 GMT 2023 , Edited by admin on Sat Dec 16 09:08:55 GMT 2023
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44391783
Created by
admin on Sat Dec 16 09:08:55 GMT 2023 , Edited by admin on Sat Dec 16 09:08:55 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Potently inhibits all-trans-retinoic acid metabolism in intact T47D cells
IC50
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TARGET -> INHIBITOR |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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