COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456866
Chemical Name: dimethyl3-methyl-5-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)amino]thiophene-2,4-dicarboxylate
Smiles: COC(=O)c1c(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)sc(c1C)C(=O)OC

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Molecular Weight: 501.55
Empirical Formula: C21H22F3N3O4S2

Physical State: Dry powder
Available Amount: 437 mg

Lipinsky:
logP: 5.961
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 131
Number of rings: 3

     

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