U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21ClFN5O3S
Molecular Weight 465.929
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DS-1971

SMILES

CN1N=CC=C1[C@H]2CCCC[C@@H]2OC3=C(Cl)C=C(C(F)=C3)S(=O)(=O)NC4=NC=NC=C4

InChI

InChIKey=OJKONCJPCULNOW-DYVFJYSZSA-N
InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H21ClFN5O3S
Molecular Weight 465.929
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 Sat Dec 16 11:09:49 UTC 2023
Edited
by admin
on Sat Dec 16 11:09:49 UTC 2023
Record UNII
EHV5F71MBF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DS-1971
Common Name English
DS-1971A
Code English
Code System Code Type Description
FDA UNII
EHV5F71MBF
Created by admin on Sat Dec 16 11:09:49 UTC 2023 , Edited by admin on Sat Dec 16 11:09:49 UTC 2023
PRIMARY
CAS
1450595-86-4
Created by admin on Sat Dec 16 11:09:49 UTC 2023 , Edited by admin on Sat Dec 16 11:09:49 UTC 2023
PRIMARY
PUBCHEM
71711862
Created by admin on Sat Dec 16 11:09:49 UTC 2023 , Edited by admin on Sat Dec 16 11:09:49 UTC 2023
PRIMARY
SMS_ID
300000042407
Created by admin on Sat Dec 16 11:09:49 UTC 2023 , Edited by admin on Sat Dec 16 11:09:49 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY