NILOTINIB Next Previous

ChEMBL ID CHEMBL255863
PubChem CID 16757572
DrugBank Accession Number DB04868
ClinicalTrials NILOTINIB
Molecular Formula C28H22F3N7O
Inchikey HHZIURLSWUIHRB-UHFFFAOYSA-N

Smiles
Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F

Synonyms
AMN-107, Tasigna, SID124894352, Nilotinib; Nilotinib Hydrochloride Monohydrate

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 2
Molecular Species BASE
Molecular Properties
Molecular Weight 529.52
Rotatable Bonds 7
Acidic pKa (ACD) 6.74
Basic pKa (ACD) 10.21
LogP (ACD) 2.65
LogD (ACD) 0.15
ALogP 5.08
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