peficitinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 32
Total Number of Articles : 19
PubChem 57928403
Molecular Formula

C18H22N4O2

SMILES

C1[C@@H]2CC3(C[C@@H](C2NC4=C5C=CNC5=NC=C4C(=O)N)CC1C3)O

InChI

InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18?

synonyms
  • Peficitinib
  • ASP015K
  • 944118-01-8
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Properties
Property Value
MW 326.4 g/mol
HBD 4
HBA 4
Rotatable Bond Count 3
Exact Mass 326.17427596 g/mol
Monoisotopic Mass 326.17427596 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 525
xlogp 1.9
Topological Polar Surface Area 104