COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569170
Chemical Name: 2-[(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]benzoate
Smiles: Cc1ccc(cc1)SCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccccc1C(=O)[O-]

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Molecular Weight: 478.49
Empirical Formula: C21H18N8O4S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 0.567
Rotatable bonds: 5
H-donors: 4
H-acceptors: 4
PSA: 204
Number of rings: 4

     

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