COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809681
Chemical Name: N-[1-({[4-(acetylamino)phenyl]carbamothioyl}amino)-2,2,2-trichloroethyl]-2-nitrobenzamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 504.78
Empirical Formula: C18H16Cl3N5O4S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 3.36
Rotatable bonds: 3
H-donors: 4
H-acceptors: 4
PSA: 160
Number of rings: 2

     

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