indibulin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 6
Total Number of Articles : 3
PubChem 2929
Molecular Formula

C22H16ClN3O2

SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)

synonyms
  • Indibulin
  • 204205-90-3
  • d-24851
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Properties
Property Value
MW 389.8 g/mol
HBD 1
HBA 3
Rotatable Bond Count 5
Exact Mass 389.0931045 g/mol
Monoisotopic Mass 389.0931045 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 558
xlogp 3.9
Topological Polar Surface Area 64