COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148870
Chemical Name: 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidinium-1-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2C[NH+]2CCCCC2)c2nonc2N)ccc1[O-]

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Molecular Weight: 441.45
Empirical Formula: C19H23N9O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.806
Rotatable bonds: 6
H-donors: 4
H-acceptors: 4
PSA: 173
Number of rings: 4

     

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