COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525497
Chemical Name: (3alpha,5alpha,8xi,9xi,14xi,16alpha)-17-hydroxy-16-methyl-20-oxopregnan-3-ylbenzoate
Smiles: C[C@@H]1CC2[C@]([C@@]1(O)C(=O)C)(C)CCC1C2CC[C@@H]2[C@]1(C)CC[C@H](C2)OC(=O)c1ccccc1

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Molecular Weight: 452.63
Empirical Formula: C29H40O4

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 7.153
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 63
Number of rings: 5

     

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