Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H21N3O2S |
| Molecular Weight | 379.475 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
N[C@@H]1CCCN(C1)C2=C(C=CC=C2\C=C3/SC(=O)NC3=O)C4=CC=CC=C4
InChI
InChIKey=MCUJKPPARUPFJM-UWCCDQBKSA-N
InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1
| Molecular Formula | C21H21N3O2S |
| Molecular Weight | 379.475 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:49:00 UTC 2023
by
admin
on
Sat Dec 16 01:49:00 UTC 2023
|
| Record UNII |
S98NFM1378
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
100000175798
Created by
admin on Sat Dec 16 01:49:00 UTC 2023 , Edited by admin on Sat Dec 16 01:49:00 UTC 2023
|
PRIMARY | |||
|
58423153
Created by
admin on Sat Dec 16 01:49:00 UTC 2023 , Edited by admin on Sat Dec 16 01:49:00 UTC 2023
|
PRIMARY | |||
|
CHEMBL3545423
Created by
admin on Sat Dec 16 01:49:00 UTC 2023 , Edited by admin on Sat Dec 16 01:49:00 UTC 2023
|
PRIMARY | |||
|
1204144-28-4
Created by
admin on Sat Dec 16 01:49:00 UTC 2023 , Edited by admin on Sat Dec 16 01:49:00 UTC 2023
|
PRIMARY | |||
|
DTXSID801026025
Created by
admin on Sat Dec 16 01:49:00 UTC 2023 , Edited by admin on Sat Dec 16 01:49:00 UTC 2023
|
PRIMARY | |||
|
S98NFM1378
Created by
admin on Sat Dec 16 01:49:00 UTC 2023 , Edited by admin on Sat Dec 16 01:49:00 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
COMPETITIVE INHIBITOR
IC50
|
||
|
TARGET -> INHIBITOR |
COMPETITIVE INHIBITOR
IC50
|
||
|
|
SALT/SOLVATE -> PARENT | |||
|
TARGET -> INHIBITOR |
COMPETITIVE INHIBITOR
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
