rucaparib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 111
Total Number of Articles : 212
PubChem 9931954
Molecular Formula

C19H18FN3O

SMILES

CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2

InChI

InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)

synonyms
  • RUCAPARIB
  • 283173-50-2
  • AG-14447
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Properties
Property Value
MW 323.4 g/mol
HBD 3
HBA 3
Rotatable Bond Count 3
Exact Mass 323.14339037 g/mol
Monoisotopic Mass 323.14339037 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 466
xlogp 2.5
Topological Polar Surface Area 56.9