Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C26H26ClN2O3S2.Na |
| Molecular Weight | 537.069 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CN(C)C(=O)CCSC(SCCC([O-])=O)C1=CC=CC(\C=C\C2=NC3=CC(Cl)=CC=C3C=C2)=C1
InChI
InChIKey=XNAYQOBPAXEYLI-AAGWESIMSA-M
InChI=1S/C26H27ClN2O3S2.Na/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22;/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32);/q;+1/p-1/b10-6+;
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C26H26ClN2O3S2 |
| Molecular Weight | 514.079 |
| Charge | -1 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:00:23 UTC 2023
by
admin
on
Sat Dec 16 09:00:23 UTC 2023
|
| Record UNII |
4238L635XD
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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DTXSID5046358
Created by
admin on Sat Dec 16 09:00:23 UTC 2023 , Edited by admin on Sat Dec 16 09:00:23 UTC 2023
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115103-85-0
Created by
admin on Sat Dec 16 09:00:23 UTC 2023 , Edited by admin on Sat Dec 16 09:00:23 UTC 2023
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16760569
Created by
admin on Sat Dec 16 09:00:23 UTC 2023 , Edited by admin on Sat Dec 16 09:00:23 UTC 2023
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4238L635XD
Created by
admin on Sat Dec 16 09:00:23 UTC 2023 , Edited by admin on Sat Dec 16 09:00:23 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Binding Assy
IC50
|
