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=CN=CC(C)=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
Sat Dec 16 11:41:52 GMT 2023
by
admin
on
Sat Dec 16 11:41:52 GMT 2023
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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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2049980-18-7
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122702529
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C166746
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10870
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admin on Sat Dec 16 11:41:52 GMT 2023 , Edited by admin on Sat Dec 16 11:41:52 GMT 2023
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100000183562
Created by
admin on Sat Dec 16 11:41:52 GMT 2023 , Edited by admin on Sat Dec 16 11:41:52 GMT 2023
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4B8REJ8ZGY
Created by
admin on Sat Dec 16 11:41:52 GMT 2023 , Edited by admin on Sat Dec 16 11:41:52 GMT 2023
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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 |
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Biological Half-life | PHARMACOKINETIC |
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