COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868381
Chemical Name: dimethyl2-({[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=S)N1CCN(CC1)C(=O)c1ccco1)C(=O)OC

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Molecular Weight: 431.47
Empirical Formula: C20H21N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.741
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 133
Number of rings: 3

     

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