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Chemistry

Mol. Mass

312.38

ALogP

1.54

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N
  • InChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL221959   ChEMBL
tofacitinib *

CHEMBL2103743   ChEMBL
tofacitinib citrate

CHEMBL459769   ChEMBL
tasocitinib

87LA6FU830   NCATS
tofacitinib *

Tofacitinib   Wikipedia

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