COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL376739
Chemical Name: 2-cyanobenzyl2-chloro-5-{5-[(E)-2-(8-hydroxy-7-nitro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethenyl]furan-2-yl}benzoate
Smiles: N#Cc1ccccc1COC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/c1nn2cnnc2c(c1[N+](=O)[O-])O

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Molecular Weight: 542.89
Empirical Formula: C26H15ClN6O6

Physical State: Dry powder
Available Amount: 337 mg

Lipinsky:
logP: 4.859
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 172
Number of rings: 5

     

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