COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297417
Chemical Name: 2-[(E)-2-{4-[(4-chlorobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)phenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Smiles: CCOc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])cc(c1OCc1ccc(cc1)Cl)CC=C

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Molecular Weight: 483.91
Empirical Formula: C24H22ClN3O6

Physical State: Dry powder
Available Amount: 610 mg

Lipinsky:
logP: 4.115
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 3

     

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