COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL026062
Chemical Name: 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Smiles: COc1ccc(cc1/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-])OC

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Molecular Weight: 319.27
Empirical Formula: C14H13N3O6

Physical State: Dry powder
Available Amount: 1549 mg

Lipinsky:
logP: 0.519
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 2

     

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