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ChEMBL ID CHEMBL92
PubChem CID 148124
DrugBank Accession Number DB01248
ClinicalTrials DOCETAXEL
Molecular Formula C43H53NO14
Inchikey ZDZOTLJHXYCWBA-VCVYQWHSSA-N

Smiles
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

Synonyms
Taxotere, SID494081, RP-56976, SID124950708, SID144206334, Docefrez, SID144206639, Docetaxel

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 2
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 807.88
Rotatable Bonds 13
Acidic pKa (ACD) 9.9
Basic pKa (ACD) -
LogP (ACD) 3.03
LogD (ACD) 3.03
ALogP 2.59
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