COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551354
Chemical Name: 2-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-bromo-6-ethoxyphenoxy}acetamide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)cc(c1OCC(=O)N)Br

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Molecular Weight: 615.36
Empirical Formula: C22H19BrN10O7

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 0.155
Rotatable bonds: 9
H-donors: 5
H-acceptors: 7
PSA: 244
Number of rings: 4

     

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