COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037707
Chemical Name: 4-{(1Z)-1-[2-({[5-(benzylsulfanyl)-1,3,4-thiadiazol-4-ium-2-yl]sulfanyl}acetyl)hydrazinylidene]propyl}phenolate
Smiles: CC/C(=N/NC(=O)CSc1n[nH+]c(s1)SCc1ccccc1)/c1ccc(cc1)[O-]

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Molecular Weight: 444.6
Empirical Formula: C20H20N4O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.512
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 170
Number of rings: 3

     

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