COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK164842
Chemical Name: dimethyl5-{[(4-benzylpiperazin-1-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=S)N2CCN(CC2)Cc2ccccc2)cc(c1)C(=O)OC

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Molecular Weight: 427.52
Empirical Formula: C22H25N3O4S

Physical State: Dry powder
Available Amount: 143 mg

Lipinsky:
logP: 3.399
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 3

     

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