COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK164849
Chemical Name: dimethyl5-[({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)amino]benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=S)N2CCN(CC2)C/C=C/c2ccccc2)cc(c1)C(=O)OC

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Molecular Weight: 453.56
Empirical Formula: C24H27N3O4S

Physical State: Dry powder
Available Amount: 126 mg

Lipinsky:
logP: 4.087
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 3

     

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