palbociclib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 181
Total Number of Articles : 500
PubChem 5330286
Molecular Formula

C24H29N7O2

SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C

InChI

InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)

synonyms
  • Palbociclib
  • 571190-30-2
  • PD-0332991
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Properties
Property Value
MW 447.5 g/mol
HBD 2
HBA 8
Rotatable Bond Count 5
Exact Mass 447.23827319 g/mol
Monoisotopic Mass 447.23827319 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 775
xlogp 1.8
Topological Polar Surface Area 103