COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050397
Chemical Name: 2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-5-(diethylammonio)phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)CC

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Molecular Weight: 506.48
Empirical Formula: C22H22N10O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.824
Rotatable bonds: 5
H-donors: 4
H-acceptors: 5
PSA: 210
Number of rings: 4

     

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