COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552646
Chemical Name: 3-{[(9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}benzenesulfonate
Smiles: O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)[O-])C)C)C

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Saltdata: Na+
Molecular Weight: 575.63
Empirical Formula: C29H32FO9S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 3.089
Rotatable bonds: 7
H-donors: 2
H-acceptors: 9
PSA: 166
Number of rings: 5

     

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