COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056967
Chemical Name: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-ethoxyphenolate
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CSc2ccc(cc2)C)c2nonc2[NH3+])ccc1[O-]

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Molecular Weight: 494.53
Empirical Formula: C22H22N8O4S

Physical State: Dry powder
Available Amount: 280 mg

Lipinsky:
logP: 1.226
Rotatable bonds: 7
H-donors: 4
H-acceptors: 4
PSA: 196
Number of rings: 4

     

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