General Information of the Compound
| Compound ID |
CP0535032
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| Compound Name |
9,10-dimethoxy-2-(2-pyridin-2-yloxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
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| Formula |
C21H21N3O5
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| Molecular Weight |
395.415
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| Canonical SMILES |
COc1cc2CCn3c(cc(OCCOc4ccccn4)nc3=O)-c2cc1OC
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| InChI |
InChI=1S/C21H21N3O5/c1-26-17-11-14-6-8-24-16(15(14)12-18(17)27-2)13-20(23-21(24)25)29-10-9-28-19-5-3-4-7-22-19/h3-5,7,11-13H,6,8-10H2,1-2H3
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| InChIKey |
QPFPRIJHUREJAO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Protein ID: PT04383, G-protein coupled receptor 84
Protein ID: PT07461, G-protein coupled receptor 84