COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK393574
Chemical Name: (2E)-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(NC(=S)Nc1cc(ccc1Cl)C(F)(F)F)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 429.81
Empirical Formula: C17H11ClF3N3O3S

Physical State: Dry powder
Available Amount: 201 mg

Lipinsky:
logP: 5.628
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 2

     

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