COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL025920
Chemical Name: 2-{[2-ethoxy-4-({2-[4-(methylsulfanyl)phenyl]-4,6-dioxo-1,3-dioxan-5-ylidene}methyl)phenoxy]methyl}benzonitrile
Smiles: CCOc1cc(ccc1OCc1ccccc1C#N)/C=C/1\C(=O)OC(OC1=O)c1ccc(cc1)SC

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Molecular Weight: 501.56
Empirical Formula: C28H23NO6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.661
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 120
Number of rings: 4

     

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