COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047449
Chemical Name: 4-{(E)-[2-({[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenolate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(c(c2)OC)[O-])[nH+]nc1c1ccccc1

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Molecular Weight: 503.58
Empirical Formula: C26H25N5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.031
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 4

     

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