SITAGLIPTIN Next Previous

ChEMBL ID CHEMBL1422
PubChem CID 4369359
DrugBank Accession Number DB01261
ClinicalTrials SITAGLIPTIN
Molecular Formula C16H15F6N5O
Inchikey MFFMDFFZMYYVKS-SECBINFHSA-N

Smiles
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F

Synonyms
MK-0431, SITAGLIPTIN

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 407.31
Rotatable Bonds 5
Acidic pKa (ACD) -
Basic pKa (ACD) 7.2
LogP (ACD) 2.06
LogD (ACD) 1.93
ALogP 1.93
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