COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369555
Chemical Name: 2-{[(2,2,2-trichloro-1-{[(2-nitrophenyl)carbonyl]amino}ethyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)O

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Molecular Weight: 491.74
Empirical Formula: C17H13Cl3N4O5S

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 5.692
Rotatable bonds: 5
H-donors: 4
H-acceptors: 5
PSA: 168
Number of rings: 2

     

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