TAUROLITHOCHOLIC ACID Next Previous

ChEMBL ID CHEMBL408701
PubChem CID 439763
DrugBank Accession Number
ClinicalTrials TAUROLITHOCHOLIC ACID
Molecular Formula C26H45NO5S
Inchikey QBYUNVOYXHFVKC-GBURMNQMSA-N
Cas Number 516-90-5

Smiles
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

Synonyms
Taurolithocholate, TAUROLITHOCHOLIC ACID, Tauroursodeoxycholic acid, Taurolithocholic, Taurolithocholic Acid, Tauroursodeoxycholic acid dihydrate

Libraries
O'Brien, ScreenWell

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species ACID
Molecular Properties
Molecular Weight 483.72
Rotatable Bonds 7
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 4.43
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