COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559829
Chemical Name: 4-[(1Z)-1-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenolate
Smiles: O=C(N/N=C(\c1ccc(cc1)[O-])/C)CSc1n[nH+]c(s1)SCc1ccc(cc1)C

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Molecular Weight: 444.6
Empirical Formula: C20H20N4O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.441
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 170
Number of rings: 3

     

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