COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560023
Chemical Name: 2-[(E)-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]-6-(prop-2-en-1-yl)phenolate
Smiles: C=CCc1cccc(c1[O-])/C=N/NC(=O)CSc1n[nH+]c(s1)SCc1ccccc1Cl

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Molecular Weight: 491.06
Empirical Formula: C21H19ClN4O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.786
Rotatable bonds: 10
H-donors: 2
H-acceptors: 2
PSA: 170
Number of rings: 3

     

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