COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK164913
Chemical Name: dimethyl5-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=S)N2CCN(CC2)Cc2ccc3c(c2)OCO3)cc(c1)C(=O)OC

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Molecular Weight: 471.53
Empirical Formula: C23H25N3O6S

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 3.261
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 121
Number of rings: 4

     

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