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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32F2N8
Molecular Weight 518.6041
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tibremciclib

SMILES

CCN1CCN(CC2=CN=C(NC3=NC(C4=CC5=C(N=C6CCC[C@@H](C)N56)C(F)=C4)=C(F)C=N3)C=C2)CC1

InChI

InChIKey=XOJPAVACYRFOBK-GOSISDBHSA-N
InChI=1S/C28H32F2N8/c1-3-36-9-11-37(12-10-36)17-19-7-8-24(31-15-19)33-28-32-16-22(30)26(35-28)20-13-21(29)27-23(14-20)38-18(2)5-4-6-25(38)34-27/h7-8,13-16,18H,3-6,9-12,17H2,1-2H3,(H,31,32,33,35)/t18-/m1/s1

HIDE SMILES / InChI

Approval Year