COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369575
Chemical Name: methyl2-{[(2,2,2-trichloro-1-{[(3-nitrophenyl)carbonyl]amino}ethyl)carbamothioyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 505.77
Empirical Formula: C18H15Cl3N4O5S

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 5.624
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 157
Number of rings: 2

     

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