ASTEMIZOLE Next Previous

ChEMBL ID CHEMBL296419
PubChem CID 2247
DrugBank Accession Number DB00637
ClinicalTrials ASTEMIZOLE
Molecular Formula C28H31FN4O
Inchikey GXDALQBWZGODGZ-UHFFFAOYSA-N

Smiles
COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1

Synonyms
SID56422418, SID26751496, Astemizole, GNF-Pf-2461, R-43512, SID26751497, SID124882662, SID11112828, SID104171329, SID26746979, SID144204231, Hismanal, SID124882660, SID855746

Libraries
O'Brien

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 1
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 458.57
Rotatable Bonds 8
Acidic pKa (ACD) 13.71
Basic pKa (ACD) 3.79
LogP (ACD) 5.26
LogD (ACD) 5.26
ALogP 5.69
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