COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK102125
Chemical Name: 4-chloro-3-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoicacid
Smiles: O=C(NC(=S)Nc1cc(ccc1Cl)C(=O)O)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 405.82
Empirical Formula: C17H12ClN3O5S

Physical State: Dry powder
Available Amount: 458 mg

Lipinsky:
logP: 4.39
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 156
Number of rings: 2

     

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