COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047964
Chemical Name: 5-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenolate
Smiles: CCOc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccc(c(c1)[O-])OC

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Molecular Weight: 464.44
Empirical Formula: C21H20N8O5

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 0.426
Rotatable bonds: 7
H-donors: 4
H-acceptors: 5
PSA: 180
Number of rings: 4

     

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