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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14N4O2
Molecular Weight 294.308
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIGULIXOSTAT

SMILES

CC(C)N1C=C(C#N)C2=C1C=CC(=C2)N3C=C(C=N3)C(O)=O

InChI

InChIKey=JLQQRYOWGCIMMZ-UHFFFAOYSA-N
InChI=1S/C16H14N4O2/c1-10(2)19-8-11(6-17)14-5-13(3-4-15(14)19)20-9-12(7-18-20)16(21)22/h3-5,7-10H,1-2H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C16H14N4O2
Molecular Weight 294.308
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:34:45 UTC 2023
Edited
by admin
on Sat Dec 16 14:34:45 UTC 2023
Record UNII
WZ0PYQ6VLU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIGULIXOSTAT
INN  
Official Name English
LC-350189
Code English
LC350189
Code English
tigulixostat [INN]
Common Name English
1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(3-CYANO-1-(1-METHYLETHYL)-1H-INDOL-5-YL)-
Systematic Name English
Code System Code Type Description
CAS
1287766-55-5
Created by admin on Sat Dec 16 14:34:45 UTC 2023 , Edited by admin on Sat Dec 16 14:34:45 UTC 2023
PRIMARY
SMS_ID
300000032240
Created by admin on Sat Dec 16 14:34:45 UTC 2023 , Edited by admin on Sat Dec 16 14:34:45 UTC 2023
PRIMARY
NCI_THESAURUS
C179126
Created by admin on Sat Dec 16 14:34:45 UTC 2023 , Edited by admin on Sat Dec 16 14:34:45 UTC 2023
PRIMARY
PUBCHEM
51039100
Created by admin on Sat Dec 16 14:34:45 UTC 2023 , Edited by admin on Sat Dec 16 14:34:45 UTC 2023
PRIMARY
INN
11541
Created by admin on Sat Dec 16 14:34:45 UTC 2023 , Edited by admin on Sat Dec 16 14:34:45 UTC 2023
PRIMARY INN
FDA UNII
WZ0PYQ6VLU
Created by admin on Sat Dec 16 14:34:45 UTC 2023 , Edited by admin on Sat Dec 16 14:34:45 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY