COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548448
Chemical Name: methyl3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
Smiles: COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1cc(OC)c2c(c1)OCO2

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Molecular Weight: 553.57
Empirical Formula: C29H31NO10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.336
Rotatable bonds: 11
H-donors: 1
H-acceptors: 10
PSA: 122
Number of rings: 5

     

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