Dasatinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 735
Total Number of Articles : 1381
PubChem 3062316
Molecular Formula

C22H26ClN7O2S

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO

InChI

InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)

synonyms
  • Dasatinib
  • 302962-49-8
  • Sprycel
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Properties
Property Value
MW 488.0 g/mol
HBD 3
HBA 9
Rotatable Bond Count 7
Exact Mass 487.1557220 g/mol
Monoisotopic Mass 487.1557220 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 642
xlogp 3.6
Topological Polar Surface Area 135