COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206912
Chemical Name: dimethyl2-[({4-[(2Z)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)amino]benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)C/C=C\c1ccccc1)C(=O)OC

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Molecular Weight: 453.56
Empirical Formula: C24H27N3O4S

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 4.882
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 3

     

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