Description:
An impurity of Palbociclib, a selective inhibitor of cyclin-dependent kinases CDK4 and CDK6. Palbociclib is developed for the treatment of ER-positive and HER2-negative breast cancer.
Molecular Formula:
C27H35N7O3
Canonical SMILES:
CC1=CC(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C5CCCC5
InChI:
InChI=1S/C27H35N7O3/c1-18-15-23(35)34(19-7-5-6-8-19)24-21(18)17-29-25(31-24)30-22-10-9-20(16-28-22)32-11-13-33(14-12-32)26(36)37-27(2,3)4/h9-10,15-17,19H,5-8,11-14H2,1-4H3,(H,28,29,30,31)
InChIKey:
ZFQGPCBCGFJESP-UHFFFAOYSA-N
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