COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL103010
Chemical Name: 6-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Smiles: COc1cc(ccc1OC)C(=O)Cn1nc2n(c1=O)nc(cc2)c1ccc(cc1)Cl

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Molecular Weight: 424.84
Empirical Formula: C21H17ClN4O4

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 2.096
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 83
Number of rings: 4

     

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