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Details

Stereochemistry ACHIRAL
Molecular Formula C15H16FN5O3S
Molecular Weight 365.383
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Stereo Comments Meso

SHOW SMILES / InChI
Structure of OBAFISTAT

SMILES

FC1=CC=CC(=C1)S(=O)(=O)N2[C@H]3CC[C@@H]2CN(C3)C(=O)C4=CN=NN4

InChI

InChIKey=MQFQQVWKRIYYPY-TXEJJXNPSA-N
InChI=1S/C15H16FN5O3S/c16-10-2-1-3-13(6-10)25(23,24)21-11-4-5-12(21)9-20(8-11)15(22)14-7-17-19-18-14/h1-3,6-7,11-12H,4-5,8-9H2,(H,17,18,19)/t11-,12+

HIDE SMILES / InChI

Molecular Formula C15H16FN5O3S
Molecular Weight 365.383
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 14:58:22 UTC 2023
Edited
by admin
on Sat Dec 16 14:58:22 UTC 2023
Record UNII
29714ZC6VZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OBAFISTAT
INN  
Official Name English
METHANONE, (8-((3-FLUOROPHENYL)SULFONYL)-3,8-DIAZABICYCLO(3.2.1)OCT-3-YL)-1H-1,2,3-TRIAZOL-5-YL-
Systematic Name English
obafistat [INN]
Common Name English
Code System Code Type Description
SMS_ID
300000018844
Created by admin on Sat Dec 16 14:58:22 UTC 2023 , Edited by admin on Sat Dec 16 14:58:22 UTC 2023
PRIMARY
INN
11151
Created by admin on Sat Dec 16 14:58:22 UTC 2023 , Edited by admin on Sat Dec 16 14:58:22 UTC 2023
PRIMARY
FDA UNII
29714ZC6VZ
Created by admin on Sat Dec 16 14:58:22 UTC 2023 , Edited by admin on Sat Dec 16 14:58:22 UTC 2023
PRIMARY
CAS
2160582-57-8
Created by admin on Sat Dec 16 14:58:22 UTC 2023 , Edited by admin on Sat Dec 16 14:58:22 UTC 2023
PRIMARY
NCI_THESAURUS
C175831
Created by admin on Sat Dec 16 14:58:22 UTC 2023 , Edited by admin on Sat Dec 16 14:58:22 UTC 2023
PRIMARY
PUBCHEM
139593465
Created by admin on Sat Dec 16 14:58:22 UTC 2023 , Edited by admin on Sat Dec 16 14:58:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY