COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL354680
Chemical Name: 2-cyanobenzyl2-chloro-5-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate
Smiles: N#Cc1ccccc1COC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-]

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Molecular Weight: 518.87
Empirical Formula: C25H15ClN4O7

Physical State: Dry powder
Available Amount: 1045 mg

Lipinsky:
logP: 3.346
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 170
Number of rings: 4

     

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