COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546676
Chemical Name: (3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl2-bromo-3-phenylpropanoate
Smiles: CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C(Cc1ccccc1)Br)C)C

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Molecular Weight: 597.72
Empirical Formula: C36H53BrO2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 13.281
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 5

     

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