HhAntag691

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 38
Total Number of Articles : 70
PubChem 24776445
Molecular Formula

C19H14Cl2N2O3S

SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl

InChI

InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)

synonyms
  • Vismodegib
  • 879085-55-9
  • GDC-0449
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Properties
Property Value
MW 421.3 g/mol
HBD 1
HBA 4
Rotatable Bond Count 4
Exact Mass 420.0102189 g/mol
Monoisotopic Mass 420.0102189 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 625
xlogp 3.8
Topological Polar Surface Area 84.5