DEOXY CHOLATE Next Previous

ChEMBL ID CHEMBL412272
PubChem CID 2733768
DrugBank Accession Number
ClinicalTrials DEOXY CHOLATE
Molecular Formula C26H45NO6S
Inchikey AWDRATDZQPNJFN-VAYUFCLWSA-N
Cas Number 115825-61-1

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]3C[C@H](O)[C@@]21C

Synonyms
Deoxy Cholate, Taurodeoycholic

Libraries
O'Brien

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 499.71
Rotatable Bonds 7
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 3.4
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