Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C21H22BrFN4O3S |
| Molecular Weight | 509.392 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1C3=CC=C(F)C=C3Br)C4=NC=CS4
InChI
InChIKey=SQGRDKSRFFUBBU-UHFFFAOYSA-N
InChI=1S/C21H22BrFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26)
| Molecular Formula | C21H22BrFN4O3S |
| Molecular Weight | 509.392 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 17:29:08 GMT 2023
by
admin
on
Sat Dec 16 17:29:08 GMT 2023
|
| Record UNII |
R8MEF6D6PS
|
| 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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Code | English | ||
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Common Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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1793065-08-3
Created by
admin on Sat Dec 16 17:29:08 GMT 2023 , Edited by admin on Sat Dec 16 17:29:08 GMT 2023
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PRIMARY | |||
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25144422
Created by
admin on Sat Dec 16 17:29:08 GMT 2023 , Edited by admin on Sat Dec 16 17:29:08 GMT 2023
|
PRIMARY | PUBCHEM | ||
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R8MEF6D6PS
Created by
admin on Sat Dec 16 17:29:08 GMT 2023 , Edited by admin on Sat Dec 16 17:29:08 GMT 2023
|
PRIMARY |
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OFF-TARGET->INHIBITOR |
IC50
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METABOLIC ENZYME -> INDUCER |
strong CYP3A4 induction in a concentration-dependent manner
MAY BE CLINICALLY SIGNIFICANT
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