COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047309
Chemical Name: 4-{(1Z)-1-[2-({[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}-2-methoxyphenolate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N/N=C(\c2ccc(c(c2)OC)[O-])/C)[nH+]nc1c1ccccc1

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Molecular Weight: 517.61
Empirical Formula: C27H27N5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.242
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 4

     

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