TOFACITINIB Next Previous

ChEMBL ID CHEMBL221959
PubChem CID 9926791
DrugBank Accession Number DB08895
ClinicalTrials TOFACITINIB
Molecular Formula C16H20N6O
Inchikey UJLAWZDWDVHWOW-YPMHNXCESA-N
Cas Number 477600-75-2

Smiles
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12

Synonyms
550, CP-690, CP690550, CP 690550, CP-690550, CP- 690 550, CP-690-550, CP-690,550, CP690,550, CP-690,550 FREE BASE, CP-690550 FREE BASE, CP-690 FREE BASE, TASOCITINIB, TOFACITINIB

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 312.38
Rotatable Bonds 3
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 1.54
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