TAUROCHOLATE Next Previous

ChEMBL ID CHEMBL224867
PubChem CID 6675
DrugBank Accession Number DB04348
ClinicalTrials TAUROCHOLATE
Molecular Formula C26H45NO7S
Inchikey WBWWGRHZICKQGZ-HZAMXZRMSA-N

Smiles
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Synonyms
Cholaic acid, Cholic acid taurine conjugate, N-Choloyltaurine, Taurocholate, Taurocholic, Taurocholic Acid

Libraries
O'Brien

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 1
Molecular Species ACID
Molecular Properties
Molecular Weight 515.71
Rotatable Bonds 7
Acidic pKa (ACD) 1.42
Basic pKa (ACD) -
LogP (ACD) 0.25
LogD (ACD) -3.25
ALogP 2.37
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