General Information of the Compound
| Compound ID |
CP0433452
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| Compound Name |
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]quinoline
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| Structure |
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| Formula |
C22H24N2O3
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| Molecular Weight |
364.445
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| Canonical SMILES |
COc1cc2CCN(CCOc3ccc4ccccc4n3)Cc2cc1OC
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| InChI |
InChI=1S/C22H24N2O3/c1-25-20-13-17-9-10-24(15-18(17)14-21(20)26-2)11-12-27-22-8-7-16-5-3-4-6-19(16)23-22/h3-8,13-14H,9-12,15H2,1-2H3
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| InChIKey |
OBOOGPODPPLOFG-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1