COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL103004
Chemical Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Smiles: Clc1ccc(cc1)c1ccc2n(n1)c(=O)n(n2)CC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 408.8
Empirical Formula: C20H13ClN4O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.351
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 83
Number of rings: 5

     

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