COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL358723
Chemical Name: 2-{(E)-2-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Smiles: COc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])cc(c1OCc1ccccc1)Cl

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Molecular Weight: 429.82
Empirical Formula: C20H16ClN3O6

Physical State: Dry powder
Available Amount: 1275 mg

Lipinsky:
logP: 2.758
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 3

     

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