COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL358727
Chemical Name: methyl{2-chloro-6-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]phenoxy}acetate
Smiles: CCOc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])cc(c1OCC(=O)OC)Cl

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Molecular Weight: 425.78
Empirical Formula: C17H16ClN3O8

Physical State: Dry powder
Available Amount: 488 mg

Lipinsky:
logP: 0.909
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 152
Number of rings: 2

     

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