COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563817
Chemical Name: 2-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-ethoxyphenolate
Smiles: CCOc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)Cl)c1ccc(cc1)C

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Molecular Weight: 522.03
Empirical Formula: C26H24ClN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.495
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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