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Details

Stereochemistry ACHIRAL
Molecular Formula C21H12F6N4O
Molecular Weight 450.3366
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-971086

SMILES

CC1=CC2=C(C=CC(C#N)=C2C(F)(F)F)N1CC3=NOC(=N3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChIKey=ZEDODTZELVBHTG-UHFFFAOYSA-N
InChI=1S/C21H12F6N4O/c1-11-7-15-16(6-5-13(9-28)18(15)21(25,26)27)31(11)10-17-29-19(32-30-17)12-3-2-4-14(8-12)20(22,23)24/h2-8H,10H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H12F6N4O
Molecular Weight 450.3366
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

Substance Class Chemical
Record UNII
8TFL50092H
Record Status Validated (UNII)
Record Version