COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045259
Chemical Name: (2-{(E)-[2-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetate
Smiles: COc1ccc(cc1)c1n[nH+]c(n1c1ccc(cc1)C)SCC(=O)N/N=C/c1ccccc1OCC(=O)[O-]

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Molecular Weight: 531.59
Empirical Formula: C27H25N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.515
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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