COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037443
Chemical Name: 2-hydroxy-5-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: O=C(CSc1n[nH+]c(s1)SCc1ccc(cc1)C)N/N=C/c1ccc(c(c1)[O-])O

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Molecular Weight: 446.58
Empirical Formula: C19H18N4O3S3

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 6.054
Rotatable bonds: 8
H-donors: 3
H-acceptors: 3
PSA: 190
Number of rings: 3

     

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