COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK457023
Chemical Name: methyl5-ethyl-2-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)amino]thiophene-3-carboxylate
Smiles: COC(=O)c1cc(sc1NC(=S)N1CCN(CC1)c1cccc(c1)C(F)(F)F)CC

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Molecular Weight: 457.54
Empirical Formula: C20H22F3N3O2S2

Physical State: Dry powder
Available Amount: 515 mg

Lipinsky:
logP: 5.965
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 105
Number of rings: 3

     

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