COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK592739
Chemical Name: (5Z)-5-(3,4-diethoxybenzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCOc1cc(ccc1OCC)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N

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Molecular Weight: 444.51
Empirical Formula: C22H24N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.858
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 122
Number of rings: 3

     

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