General Information of the Compound
| Compound ID |
CP0375434
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| Compound Name |
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-2-yloxyethanone
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| Structure |
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| Formula |
C22H22N2O4
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| Molecular Weight |
378.428
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)C(=O)COc1ccc2ccccc2n1
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| InChI |
InChI=1S/C22H22N2O4/c1-26-19-11-16-9-10-24(13-17(16)12-20(19)27-2)22(25)14-28-21-8-7-15-5-3-4-6-18(15)23-21/h3-8,11-12H,9-10,13-14H2,1-2H3
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| InChIKey |
NXJKXNYSWXPPHY-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