Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H29N7O4S |
| Molecular Weight | 523.607 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=CC(OC)=C1N2C(NS(=O)(=O)[C@@H](C)[C@H](C)C3=NC=C(C)C=N3)=NN=C2C4=CC(C)=CN=C4
InChI
InChIKey=DOMQFIFVDIAOOT-ROUUACIJSA-N
InChI=1S/C25H29N7O4S/c1-15-10-19(14-26-11-15)24-29-30-25(32(24)22-20(35-5)8-7-9-21(22)36-6)31-37(33,34)18(4)17(3)23-27-12-16(2)13-28-23/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1
| Molecular Formula | C25H29N7O4S |
| Molecular Weight | 523.607 |
| 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
Tue Apr 01 16:48:33 GMT 2025
by
admin
on
Tue Apr 01 16:48:33 GMT 2025
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| Record UNII |
4B8REJ8ZGY
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Official Name | English | ||
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Systematic Name | English |
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2049980-18-7
Created by
admin on Tue Apr 01 16:48:33 GMT 2025 , Edited by admin on Tue Apr 01 16:48:33 GMT 2025
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122702529
Created by
admin on Tue Apr 01 16:48:33 GMT 2025 , Edited by admin on Tue Apr 01 16:48:33 GMT 2025
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C166746
Created by
admin on Tue Apr 01 16:48:33 GMT 2025 , Edited by admin on Tue Apr 01 16:48:33 GMT 2025
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10870
Created by
admin on Tue Apr 01 16:48:33 GMT 2025 , Edited by admin on Tue Apr 01 16:48:33 GMT 2025
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100000183562
Created by
admin on Tue Apr 01 16:48:33 GMT 2025 , Edited by admin on Tue Apr 01 16:48:33 GMT 2025
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4B8REJ8ZGY
Created by
admin on Tue Apr 01 16:48:33 GMT 2025 , Edited by admin on Tue Apr 01 16:48:33 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TRANSPORTER -> SUBSTRATE |
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METABOLIC ENZYME -> INDUCER |
Determined by increases in CYP3A4 messenger RNA levels in primary human hepatocytes.
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BINDER->LIGAND |
BINDING
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TARGET -> INHIBITOR |
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METABOLIC ENZYME -> SUBSTRATE |
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TRANSPORTER -> SUBSTRATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Biological Half-life | PHARMACOKINETIC |
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