COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK862024
Chemical Name: (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)prop-2-enamide
Smiles: S=C(Nc1cc(C)ccc1C)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/c1ccccc1

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Molecular Weight: 456.82
Empirical Formula: C20H20Cl3N3OS

Physical State: Dry powder
Available Amount: 83 mg

Lipinsky:
logP: 6.126
Rotatable bonds: 3
H-donors: 3
H-acceptors: 1
PSA: 85
Number of rings: 2

     

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