COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL358713
Chemical Name: 6-hydroxy-2-[(E)-2-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}ethenyl]-5-nitropyrimidin-4(3H)-one
Smiles: COc1cc(ccc1OCc1cccc(c1)C)/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-]

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Molecular Weight: 409.4
Empirical Formula: C21H19N3O6

Physical State: Dry powder
Available Amount: 887 mg

Lipinsky:
logP: 2.431
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 3

     

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