COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564952
Chemical Name: 2-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate
Smiles: O=C(CSc1n[nH+]c(s1)SCc1ccc(cc1)C)N/N=C/c1ccccc1C(=O)[O-]

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Molecular Weight: 458.59
Empirical Formula: C20H18N4O3S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.682
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 187
Number of rings: 3

     

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