COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581538
Chemical Name: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-5-(4-propoxybenzylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCCOc1ccc(cc1)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N

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Molecular Weight: 414.48
Empirical Formula: C21H22N2O5S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 1.976
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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