U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C15H14N4O
Molecular Weight 266.2979
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-200646

SMILES

CN1C=CC2=CC(NC(=O)NC3=CN=CC=C3)=CC=C12

InChI

InChIKey=OJZZJTLBYXHUSJ-UHFFFAOYSA-N
InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)

HIDE SMILES / InChI

Molecular Formula C15H14N4O
Molecular Weight 266.2979
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
6.86 null [pKi]
7.4 null [pKi]
Substance Class Chemical
Record UNII
RT8F72CL8L
Record Status Validated (UNII)
Record Version