COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416125
Chemical Name: 2-({2-chloro-4-[(E)-2-(4,6-dihydroxy-5-nitropyrimidin-2-yl)ethenyl]-6-methoxyphenoxy}methyl)benzonitrile
Smiles: COc1cc(/C=C/c2nc(O)c(c(n2)O)[N+](=O)[O-])cc(c1OCc1ccccc1C#N)Cl

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Molecular Weight: 454.83
Empirical Formula: C21H15ClN4O6

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: 3.064
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 154
Number of rings: 3

     

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