COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK284382
Chemical Name: 5-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylicacid
Smiles: O=C(Nc1cc(cc(c1)C(=O)O)C(=O)O)CSCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 390.37
Empirical Formula: C17H14N2O7S

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 3.863
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 174
Number of rings: 2

     

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