apatinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 246
Total Number of Articles : 402
PubChem 131750276
Molecular Formula

C27H31N5O4S

SMILES

CSO.C=O.C=O.C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4

InChI

InChI=1S/C24H23N5O.CH4OS.2CH2O/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;1-3-2;2*1-2/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);2H,1H3;2*1H2

synonyms
  • Apatinib
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Properties
Property Value
MW 521.6 g/mol
HBD 3
HBA 9
Rotatable Bond Count 6
Exact Mass 521.20967566 g/mol
Monoisotopic Mass 521.20967566 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 4
Complexity 615
xlogp None
Topological Polar Surface Area 170