COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442950
Chemical Name: 4-{(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl3-nitrobenzenesulfonate
Smiles: COc1cc(ccc1OS(=O)(=O)c1cccc(c1)[N+](=O)[O-])/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)F

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Molecular Weight: 513.46
Empirical Formula: C23H16FN3O8S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 3.915
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 156
Number of rings: 4

     

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