COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047635
Chemical Name: 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]-2-ethoxyphenolate
Smiles: CCOc1cc(/C=N/NC(=O)CSc2n[nH+]c(s2)SCc2ccc(cc2)Cl)ccc1[O-]

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Molecular Weight: 495.05
Empirical Formula: C20H19ClN4O3S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.851
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 179
Number of rings: 3

     

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