COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560429
Chemical Name: 4-[(1Z)-1-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}propyl]phenolate
Smiles: CC/C(=N/NC(=O)CSc1n[nH+]c(s1)SCc1ccc(cc1)C)/c1ccc(cc1)[O-]

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Molecular Weight: 458.63
Empirical Formula: C21H22N4O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.972
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 170
Number of rings: 3

     

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