COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL181835
Chemical Name: 3-(methylsulfanyl)-N-[(E)-{5-[(pentachlorophenoxy)methyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine
Smiles: CSc1nncn1/N=C/c1ccc(o1)COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl

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Molecular Weight: 486.59
Empirical Formula: C15H9Cl5N4O2S

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 5.708
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 90
Number of rings: 3

     

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