COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL145767
Chemical Name: (2E)-2-[(4-tert-butylphenyl)sulfonyl]-3-[(4-ethylphenyl)amino]-3-(methylsulfanyl)prop-2-enenitrile
Smiles: CCc1ccc(cc1)N/C(=C(\S(=O)(=O)c1ccc(cc1)C(C)(C)C)/C#N)/SC

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Molecular Weight: 414.59
Empirical Formula: C22H26N2O2S2

Physical State: Dry powder
Available Amount: 21 mg

Lipinsky:
logP: 4.317
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 2

     

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