COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040502
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}-2,6-di-tert-butylphenolate
Smiles: C[NH+](Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(c(c(c1)C(C)(C)C)[O-])C(C)(C)C)C

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Molecular Weight: 483.57
Empirical Formula: C23H33N9O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.919
Rotatable bonds: 4
H-donors: 4
H-acceptors: 3
PSA: 164
Number of rings: 3

     

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