COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL139334
Chemical Name: dimethyl2-({[4-(3-chlorophenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)c1cccc(c1)Cl)C(=O)OC

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Molecular Weight: 447.94
Empirical Formula: C21H22ClN3O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.922
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 3

     

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