abemaciclib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 24
Total Number of Articles : 45
PubChem 46220502
Molecular Formula

C27H32F2N8

SMILES

CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F

InChI

InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)

synonyms
  • Abemaciclib
  • 1231929-97-7
  • LY2835219
Click to show/hide the synonyms
Properties
Property Value
MW 506.6 g/mol
HBD 1
HBA 9
Rotatable Bond Count 7
Exact Mass 506.27179938 g/mol
Monoisotopic Mass 506.27179938 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 723
xlogp 3.8
Topological Polar Surface Area 75