COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408843
Chemical Name: 4-(6-chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butan-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CCCc1nnc2n1nc(Cl)cc2

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Molecular Weight: 415.88
Empirical Formula: C20H22ClN5O3

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.435
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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