COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045939
Chemical Name: 2-{(Z)-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Smiles: COc1cc(ccc1OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C\c1cccc(c1[O-])OC

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Molecular Weight: 519.58
Empirical Formula: C26H25N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.147
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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