General Information of the Compound
| Compound ID |
CP0468591
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| Compound Name |
4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]quinoline
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| Structure |
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| Formula |
C23H26N2O3
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| Molecular Weight |
378.472
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| Canonical SMILES |
COc1cc2CCN(CCCOc3ccnc4ccccc34)Cc2cc1OC
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| InChI |
InChI=1S/C23H26N2O3/c1-26-22-14-17-9-12-25(16-18(17)15-23(22)27-2)11-5-13-28-21-8-10-24-20-7-4-3-6-19(20)21/h3-4,6-8,10,14-15H,5,9,11-13,16H2,1-2H3
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| InChIKey |
AMQLFHNUPIHNQO-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