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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H24F3N5O3
Molecular Weight 571.5492
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UMBRALISIB

SMILES

CC(C)OC1=CC=C(C=C1F)C2=NN([C@@H](C)C3=C(C4=CC(F)=CC=C4)C(=O)C5=C(O3)C=CC(F)=C5)C6=C2C(N)=NC=N6

InChI

InChIKey=IUVCFHHAEHNCFT-INIZCTEOSA-N
InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1

HIDE SMILES / InChI

Approval Year