COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK614202
Chemical Name: 2-({4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-2-ethoxyphenoxy}methyl)benzonitrile
Smiles: CCOc1cc(ccc1OCc1ccccc1C#N)/C=C/c1nc(O)nc(c1[N+](=O)[O-])O

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Molecular Weight: 434.41
Empirical Formula: C22H18N4O6

Physical State: Dry powder
Available Amount: 506 mg

Lipinsky:
logP: 2.311
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 154
Number of rings: 3

     

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