chiauranib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 17
Total Number of Articles : 6
PubChem 49779393
Molecular Formula

C27H21N3O3

SMILES

COC1=CC2=NC=CC(=C2C=C1)OC3=CC4=C(C=C3)C(=CC=C4)C(=O)NC5=CC=CC=C5N

InChI

InChI=1S/C27H21N3O3/c1-32-18-9-12-22-25(16-18)29-14-13-26(22)33-19-10-11-20-17(15-19)5-4-6-21(20)27(31)30-24-8-3-2-7-23(24)28/h2-16H,28H2,1H3,(H,30,31)

synonyms
  • Chiauranib
  • 1256349-48-0
  • ibcasertib
Click to show/hide the synonyms
Properties
Property Value
MW 435.5 g/mol
HBD 2
HBA 5
Rotatable Bond Count 5
Exact Mass 435.15829154 g/mol
Monoisotopic Mass 435.15829154 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 661
xlogp 5.1
Topological Polar Surface Area 86.5