COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK457356
Chemical Name: diethyl5-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(NC(=S)N2CCN(CC2)Cc2ccc3c(c2)OCO3)sc(c1C)C(=O)OCC

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Molecular Weight: 519.64
Empirical Formula: C24H29N3O6S2

Physical State: Dry powder
Available Amount: 184 mg

Lipinsky:
logP: 5.791
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 149
Number of rings: 4

     

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