COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526673
Chemical Name: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-ylmethanesulfonate
Smiles: O=C1C=C[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)COS(=O)(=O)C)C)C

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Molecular Weight: 438.54
Empirical Formula: C22H30O7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.302
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 126
Number of rings: 4

     

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