COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561221
Chemical Name: 4-bromo-2-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: O=C(CSc1n[nH+]c(s1)SCc1ccc(cc1)Cl)N/N=C/c1cc(Br)ccc1[O-]

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Molecular Weight: 529.89
Empirical Formula: C18H14BrClN4O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.976
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 170
Number of rings: 3

     

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