COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK024192
Chemical Name: 4-{(E)-[2-(benzylcarbamothioyl)hydrazinylidene]methyl}-2-ethoxyphenyl2-nitrobenzenesulfonate
Smiles: CCOc1cc(/C=N/NC(=S)NCc2ccccc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 514.58
Empirical Formula: C23H22N4O6S2

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 4.893
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 175
Number of rings: 3

     

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