COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK109239
Chemical Name: 4-chloro-3-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(ccc1Cl)C(=O)O

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Molecular Weight: 423.83
Empirical Formula: C17H14ClN3O6S

Physical State: Dry powder
Available Amount: 457 mg

Lipinsky:
logP: 3.985
Rotatable bonds: 5
H-donors: 3
H-acceptors: 6
PSA: 165
Number of rings: 2

     

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