SIROLIMUS Next Previous

ChEMBL ID CHEMBL413
PubChem CID 5284616
DrugBank Accession Number DB00877
ClinicalTrials SIROLIMUS
Molecular Formula C51H79NO13
Inchikey QFJCIRLUMZQUOT-HPLJOQBZSA-N

Smiles
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1O

Synonyms
AY-22989, RAPAMUNE, RAPAMYCIN, Rapamune, SIROLIMUS, WY-090217

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 3
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 914.17
Rotatable Bonds 6
Acidic pKa (ACD) 10.4
Basic pKa (ACD) -
LogP (ACD) 4.26
LogD (ACD) 4.26
ALogP 6.3
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