COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK255879
Chemical Name: 2-({2-chloro-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]-6-methoxyphenoxy}methyl)benzonitrile
Smiles: COc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])cc(c1OCc1ccccc1C#N)Cl

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Molecular Weight: 454.83
Empirical Formula: C21H15ClN4O6

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 2.195
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 149
Number of rings: 3

     

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