COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149532
Chemical Name: 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}propyl]phenolate
Smiles: CC/C(=N\NC(=O)CSc1n[nH+]c(s1)SCc1ccccc1Cl)/c1ccc(cc1)[O-]

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Molecular Weight: 479.05
Empirical Formula: C20H19ClN4O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.107
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 170
Number of rings: 3

     

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