COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525802
Chemical Name: methyl(3alpha,5beta,8xi,9xi,12alpha,14xi,17xi,20xi)-3,12-dihydroxy-7-oxocholan-24-oate
Smiles: COC(=O)CCC(C1CCC2[C@]1(C)[C@@H](O)CC1C2C(=O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C

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Molecular Weight: 420.59
Empirical Formula: C25H40O5

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 3.007
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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