Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H22N6OS |
| Molecular Weight | 382.483 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NN=C(CNC2=NC(C)=NC(OC[C@H]3C[C@@H]3C4=NC=C(C)C=C4)=C2)S1
InChI
InChIKey=WQKPZDLZRFTMTI-CABCVRRESA-N
InChI=1S/C19H22N6OS/c1-11-4-5-16(20-8-11)15-6-14(15)10-26-18-7-17(22-12(2)23-18)21-9-19-25-24-13(3)27-19/h4-5,7-8,14-15H,6,9-10H2,1-3H3,(H,21,22,23)/t14-,15+/m1/s1
| Molecular Formula | C19H22N6OS |
| Molecular Weight | 382.483 |
| 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
Mon Mar 31 22:18:24 GMT 2025
by
admin
on
Mon Mar 31 22:18:24 GMT 2025
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| Record UNII |
7M430JI73B
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| Record Status |
Validated (UNII)
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| Record Version |
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1424371-93-6
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71271414
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300000048677
Created by
admin on Mon Mar 31 22:18:24 GMT 2025 , Edited by admin on Mon Mar 31 22:18:24 GMT 2025
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7M430JI73B
Created by
admin on Mon Mar 31 22:18:24 GMT 2025 , Edited by admin on Mon Mar 31 22:18:24 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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OFF TARGET->WEAK INHIBITOR |
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TRANSPORTER -> NON-SUBSTRATE |
Transporter studies indicate high potential for CNS
penetration.
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BINDER->LIGAND |
BINDING
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TARGET -> INHIBITOR |
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METABOLIC ENZYME -> NON-INHIBITOR |
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METABOLIC ENZYME -> NON-INHIBITOR |
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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 |
|---|---|---|---|---|---|---|
| log D | PHYSICAL |
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| PERMEABILITY | BIOLOGICAL |
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