COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558901
Chemical Name: 4-[(E)-(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2CC)c2ccccc2)ccc1[O-]

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Molecular Weight: 411.48
Empirical Formula: C20H21N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.926
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 3

     

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