COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381277
Chemical Name: 2-[(4-methylphenyl)sulfonyl]benzene-1,4-diylbis(4-methyl-3-nitrobenzoate)
Smiles: Cc1ccc(cc1)S(=O)(=O)c1cc(ccc1OC(=O)c1ccc(c(c1)[N+](=O)[O-])C)OC(=O)c1ccc(c(c1)[N+](=O)[O-])C

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Molecular Weight: 590.57
Empirical Formula: C29H22N2O10S

Physical State: Dry powder
Available Amount: 175 mg

Lipinsky:
logP: 6.872
Rotatable bonds: 7
H-donors: 0
H-acceptors: 10
PSA: 186
Number of rings: 4

     

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