COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL162870
Chemical Name: methyl3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl}-5-chlorothiophene-2-carboxylate
Smiles: COC(=O)c1sc(cc1S(=O)(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)Cl

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Saltdata: HCl
Molecular Weight: 458.94
Empirical Formula: C18H19ClN2O6S2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.582
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 122
Number of rings: 4

     

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