COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL521586
Chemical Name: 2-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-5-(2-oxopropoxy)-4H-pyran-4-one
Smiles: CC(=O)COc1coc(cc1=O)CN1CCc2c(C1)cccc2

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Molecular Weight: 313.35
Empirical Formula: C18H19NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.194
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 55
Number of rings: 3

     

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