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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H23ClF2N4O2S
Molecular Weight 480.958
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-2940094

SMILES

CC1=NN(C=C1CN2CCC3(CC2)OCC(F)(F)C4=C3SC(Cl)=C4)C5=NC=CC=C5CO

InChI

InChIKey=NKQHBJNRBKHUQR-UHFFFAOYSA-N
InChI=1S/C22H23ClF2N4O2S/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3

HIDE SMILES / InChI

Molecular Formula C22H23ClF2N4O2S
Molecular Weight 480.958
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
4I67US2V8Q
Record Status Validated (UNII)
Record Version