COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL131433
Chemical Name: dimethyl2-({[4-(3-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
Smiles: COc1cccc(c1)N1CCN(CC1)C(=S)Nc1cc(ccc1C(=O)OC)C(=O)OC

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Molecular Weight: 443.52
Empirical Formula: C22H25N3O5S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.866
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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