IXABEPILONE Next Previous

ChEMBL ID CHEMBL1201752
PubChem CID 6445540
DrugBank Accession Number
ClinicalTrials IXABEPILONE
Molecular Formula C27H42N2O5S
Inchikey FABUFPQFXZVHFB-PVYNADRNSA-N

Smiles
C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C

Synonyms
Ixabepilone, BMS-247550-01, Ixempra, Ixempra Kit

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 1
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 506.7
Rotatable Bonds 2
Acidic pKa (ACD) 13.73
Basic pKa (ACD) 2.76
LogP (ACD) 2.71
LogD (ACD) 2.71
ALogP 3.13
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