COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050364
Chemical Name: {2-[(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]phenoxy}acetate
Smiles: [O-]C(=O)COc1ccccc1/C=N/NC(=O)c1nnn(c1c1cccs1)c1nonc1[NH3+]

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Molecular Weight: 454.43
Empirical Formula: C18H14N8O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.403
Rotatable bonds: 6
H-donors: 4
H-acceptors: 5
PSA: 216
Number of rings: 4

     

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