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
Sat Dec 16 08:46:23 GMT 2023
by
admin
on
Sat Dec 16 08:46:23 GMT 2023
|
Record UNII |
7M430JI73B
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Code | English | ||
|
Code | English | ||
|
Systematic Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
1424371-93-6
Created by
admin on Sat Dec 16 08:46:23 GMT 2023 , Edited by admin on Sat Dec 16 08:46:23 GMT 2023
|
PRIMARY | |||
|
71271414
Created by
admin on Sat Dec 16 08:46:23 GMT 2023 , Edited by admin on Sat Dec 16 08:46:23 GMT 2023
|
PRIMARY | |||
|
7M430JI73B
Created by
admin on Sat Dec 16 08:46:23 GMT 2023 , Edited by admin on Sat Dec 16 08:46:23 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
OFF TARGET->WEAK INHIBITOR |
|
||
|
TRANSPORTER -> NON-SUBSTRATE |
Transporter studies indicate high potential for CNS
penetration.
|
||
|
BINDER->LIGAND |
BINDING
|
||
|
TARGET -> INHIBITOR |
|
||
|
METABOLIC ENZYME -> NON-INHIBITOR |
|
||
|
METABOLIC ENZYME -> NON-INHIBITOR |
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |
|
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
---|---|---|---|---|---|---|
log D | PHYSICAL |
|
|
|||
PERMEABILITY | BIOLOGICAL |
|
|
|||