COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367318
Chemical Name: 2-({2-chloro-4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-6-ethoxyphenoxy}methyl)benzonitrile
Smiles: CCOc1cc(/C=C/c2nc(O)nc(c2[N+](=O)[O-])O)cc(c1OCc1ccccc1C#N)Cl

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Molecular Weight: 468.85
Empirical Formula: C22H17ClN4O6

Physical State: Dry powder
Available Amount: 674 mg

Lipinsky:
logP: 3.098
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 154
Number of rings: 3

     

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