COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551394
Chemical Name: methyl3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-(2-hydroxy-6-methoxyquinolin-3-yl)propanoate
Smiles: COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1cc2cc(OC)ccc2nc1O

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Molecular Weight: 576.6
Empirical Formula: C31H32N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.126
Rotatable bonds: 12
H-donors: 2
H-acceptors: 9
PSA: 136
Number of rings: 5

     

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