COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL253110
Chemical Name: (2E)-3-phenyl-N-{2,2,2-trichloro-1-[(quinolin-8-ylcarbamothioyl)amino]ethyl}prop-2-enamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)NC(=S)Nc1cccc2c1nccc2)/C=C/c1ccccc1

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Molecular Weight: 479.82
Empirical Formula: C21H17Cl3N4OS

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 6.208
Rotatable bonds: 3
H-donors: 3
H-acceptors: 1
PSA: 98
Number of rings: 3

     

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