COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548837
Chemical Name: (2alpha,5alpha,8xi,9xi,14xi,16alpha)-2-bromo-17-hydroxy-16-methyl-3,20-dioxopregnan-21-ylacetate
Smiles: CC(=O)OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)C[C@@H](Br)C(=O)C2

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Molecular Weight: 483.44
Empirical Formula: C24H35BrO5

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 4.886
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 4

     

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