COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524502
Chemical Name: ethyl(8xi,9xi,14xi,17xi,20xi)-3-oxochol-4-en-24-oate
Smiles: CCOC(=O)CCC(C1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)C

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Molecular Weight: 400.6
Empirical Formula: C26H40O3

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 6.844
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 4

     

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