3R14S-OCHRATOXIN A Next Previous

ChEMBL ID CHEMBL589366
PubChem CID 442530
DrugBank Accession Number
ClinicalTrials 3R14S-OCHRATOXIN A
Molecular Formula C20H18ClNO6
Inchikey RWQKHEORZBHNRI-BMIGLBTASA-N

Smiles
C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1

Synonyms
SID26755748, SID26755747

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species ACID
Molecular Properties
Molecular Weight 403.81
Rotatable Bonds 5
Acidic pKa (ACD) 3.29
Basic pKa (ACD) -
LogP (ACD) 4.37
LogD (ACD) 0.61
ALogP 3.29
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