COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369334
Chemical Name: (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)prop-2-enamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)NC(=S)Nc1cccc(c1)[N+](=O)[O-])/C=C/c1ccccc1

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Molecular Weight: 473.77
Empirical Formula: C18H15Cl3N4O3S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 5.593
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 131
Number of rings: 2

     

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