COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056845
Chemical Name: 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylammonio)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2C[NH+](C)C)c2nonc2N)ccc1[O-]

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Molecular Weight: 401.39
Empirical Formula: C16H19N9O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.582
Rotatable bonds: 6
H-donors: 4
H-acceptors: 4
PSA: 173
Number of rings: 3

     

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