COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547766
Chemical Name: (3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl(2Z)-2-bromo-3-phenylprop-2-enoate
Smiles: CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)/C(=C/c1ccccc1)/Br)C)C

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Molecular Weight: 595.7
Empirical Formula: C36H51BrO2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 13.034
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 5

     

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