COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050408
Chemical Name: 2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
Smiles: O=C(c1nnn(c1CSc1nncn1C)c1nonc1[NH3+])N/N=C/c1ccccc1C(=O)[O-]

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Molecular Weight: 469.44
Empirical Formula: C17H15N11O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.491
Rotatable bonds: 6
H-donors: 4
H-acceptors: 4
PSA: 234
Number of rings: 4

     

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