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Details

Stereochemistry ACHIRAL
Molecular Formula C30H35FN8O
Molecular Weight 542.6503
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMPUCICLIB

SMILES

CC(C)N1C(C)=NC2=CC=C(C=C12)C3=NC(NC4=CC=C(C(=O)N5CCC(CC5)NC6CC6)C(C)=N4)=NC=C3F

InChI

InChIKey=FDSYOFCVZBGPOV-UHFFFAOYSA-N
InChI=1S/C30H35FN8O/c1-17(2)39-19(4)34-25-9-5-20(15-26(25)39)28-24(31)16-32-30(37-28)36-27-10-8-23(18(3)33-27)29(40)38-13-11-22(12-14-38)35-21-6-7-21/h5,8-10,15-17,21-22,35H,6-7,11-14H2,1-4H3,(H,32,33,36,37)

HIDE SMILES / InChI

Molecular Formula C30H35FN8O
Molecular Weight 542.6503
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
ZPX6CRU43V
Record Status Validated (UNII)
Record Version