COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL095826
Chemical Name: methyl3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1S(=O)(=O)N1CCN(CC1)c1cccc(c1C)C)cccc2

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Molecular Weight: 444.58
Empirical Formula: C22H24N2O4S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.7
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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