COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525169
Chemical Name: ethyl(3alpha,8xi,12alpha,17xi,20S)-3,12-dihydroxycholan-24-oate
Smiles: CCOC(=O)CC[C@@H](C1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1C2CCC2[C@]1(C)CC[C@H](C2)O)C

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Molecular Weight: 420.63
Empirical Formula: C26H44O4

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 5.653
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 66
Number of rings: 4

     

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