COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512326
Chemical Name: methyl(3alpha,8xi,12alpha,14xi,17xi,20xi)-12-bromo-11-oxo-3,9-epoxycholan-24-oate
Smiles: COC(=O)CCC(C1CCC2[C@]1(C)[C@@H](Br)C(=O)[C@]13C2CCC2[C@]3(C)CC[C@H](O1)C2)C

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Molecular Weight: 481.47
Empirical Formula: C25H37BrO4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 5.088
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 6

     

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