COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525122
Chemical Name: (8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-ylbenzoate
Smiles: O=C1C=C[C@]2(C(=C1)CCC1C2C(=O)C[C@]2(C1CC[C@]2(O)C(=O)COC(=O)c1ccccc1)C)C

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Molecular Weight: 462.54
Empirical Formula: C28H30O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.137
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 97
Number of rings: 5

     

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