PACLITAXEL Next Previous

ChEMBL ID CHEMBL428647
PubChem CID 36314
DrugBank Accession Number DB01229
ClinicalTrials PACLITAXEL
Molecular Formula C47H51NO14
Inchikey RCINICONZNJXQF-MZXODVADSA-N

Smiles
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C

Synonyms
ABRAXANE, BMS-181339-01, PACITAXEL, PACLITAXEL, PAXENE, TAXOL, TAXOL 100, Paclitaxel

Libraries
O'Brien

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 2
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 853.92
Rotatable Bonds 10
Acidic pKa (ACD) 11.9
Basic pKa (ACD) -
LogP (ACD) 3.95
LogD (ACD) 3.95
ALogP 3.74
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