COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551475
Chemical Name: methyl3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]-3-(6-methoxy-4-oxo-4H-chromen-3-yl)propanoate
Smiles: COC(=O)CC(c1coc2c(c1=O)cc(cc2)OC)c1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O

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Molecular Weight: 517.54
Empirical Formula: C29H27NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.413
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 111
Number of rings: 5

     

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