COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK195891
Chemical Name: 2-({2-chloro-4-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]-6-ethoxyphenoxy}methyl)benzonitrile
Smiles: CCOc1cc(/C=C(\c2ccc(cc2)[N+](=O)[O-])/C#N)cc(c1OCc1ccccc1C#N)Cl

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Molecular Weight: 459.89
Empirical Formula: C25H18ClN3O4

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 6.501
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 3

     

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