Tofacitinib
FEATURES
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NAMES
  • 550
  • CP-690
  • CP-690550
  • MI1
  • Tasocitinib
  • Tofacitinib
SMILES
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12
InChI
InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
MOLECULAR FORMULA
C16H20N6O
CROSS REFERENCES
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Tofacitinib
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight312.17
AlogP1.54
HBond donors1
HBond acceptors7
Atoms43
Contains toxicophoreNo
Contains PAINSNo
Commercially availableYes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS