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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H18FN7O
Molecular Weight 415.423
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IDELALISIB

SMILES

CC[C@H](NC1=C2N=CNC2=NC=N1)C3=NC4=C(C(=O)N3C5=CC=CC=C5)C(F)=CC=C4

InChI

InChIKey=IFSDAJWBUCMOAH-HNNXBMFYSA-N
InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1

HIDE SMILES / InChI

Approval Year