ruxolitinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 364
Total Number of Articles : 807
PubChem 25126798
Molecular Formula

C17H18N6

SMILES

C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1

synonyms
  • Ruxolitinib
  • 941678-49-5
  • INCB018424
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Properties
Property Value
MW 306.4 g/mol
HBD 1
HBA 4
Rotatable Bond Count 4
Exact Mass 306.15929460 g/mol
Monoisotopic Mass 306.15929460 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 453
xlogp 2.1
Topological Polar Surface Area 83.2