acalabrutinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 67
Total Number of Articles : 145
PubChem 71226662
Molecular Formula

C26H23N7O2

SMILES

CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5

InChI

InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1

synonyms
  • Acalabrutinib
  • 1420477-60-6
  • ACP-196
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Properties
Property Value
MW 465.5 g/mol
HBD 2
HBA 6
Rotatable Bond Count 4
Exact Mass 465.19132300 g/mol
Monoisotopic Mass 465.19132300 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 845
xlogp 3
Topological Polar Surface Area 119