COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056709
Chemical Name: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccc3c(c2)OCO3)c2nonc2[NH3+])cc(c1[O-])OC

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Molecular Weight: 494.42
Empirical Formula: C21H18N8O7

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: -0.268
Rotatable bonds: 5
H-donors: 4
H-acceptors: 7
PSA: 198
Number of rings: 5

     

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