COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042489
Chemical Name: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2cccs2)c2nonc2[NH3+])cc(c1[O-])OC

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Molecular Weight: 456.44
Empirical Formula: C18H16N8O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.325
Rotatable bonds: 5
H-donors: 4
H-acceptors: 5
PSA: 208
Number of rings: 4

     

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