COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823346
Chemical Name: (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 426.49
Empirical Formula: C22H22N2O5S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 1.471
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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