COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL145766
Chemical Name: (2E)-2-[(4-tert-butylphenyl)sulfonyl]-3-[(3-methylphenyl)amino]-3-(methylsulfanyl)prop-2-enenitrile
Smiles: N#C/C(=C(/Nc1cccc(c1)C)\SC)/S(=O)(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 400.57
Empirical Formula: C21H24N2O2S2

Physical State: Dry powder
Available Amount: 17 mg

Lipinsky:
logP: 3.785
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 2

     

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