COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL004189
Chemical Name: (2E)-2-[(2,5-dimethylphenyl)sulfonyl]-3-(methylsulfanyl)-3-(piperidin-1-yl)prop-2-enenitrile
Smiles: CS/C(=C(/S(=O)(=O)c1cc(C)ccc1C)\C#N)/N1CCCCC1

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Molecular Weight: 350.51
Empirical Formula: C17H22N2O2S2

Available Amount: 0 mg

Lipinsky:
logP: 2.715
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 94
Number of rings: 2

     

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