spebrutinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 15
Total Number of Articles : 16
PubChem 59174488
Molecular Formula

C22H22FN5O3

SMILES

COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)F

InChI

InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)

synonyms
  • spebrutinib
  • 1202757-89-8
  • AVL-292
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Properties
Property Value
MW 423.4 g/mol
HBD 3
HBA 8
Rotatable Bond Count 10
Exact Mass 423.17066774 g/mol
Monoisotopic Mass 423.17066774 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 561
xlogp 3.6
Topological Polar Surface Area 97.4