COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047151
Chemical Name: {2-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenoxy}acetate
Smiles: O=C(CSc1n[nH+]c(s1)SCc1ccc(cc1)C)N/N=C/c1ccccc1OCC(=O)[O-]

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Molecular Weight: 488.61
Empirical Formula: C21H20N4O4S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.489
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 196
Number of rings: 3

     

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