COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL131429
Chemical Name: dimethyl2-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)amino]benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)c1cccc(c1)C(F)(F)F)C(=O)OC

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Molecular Weight: 481.5
Empirical Formula: C22H22F3N3O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.288
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 3

     

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