General Information of the Compound
| Compound ID |
CP0415120
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| Compound Name |
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methoxyphenyl)phenyl]ethanone
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| Structure |
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| Formula |
C26H27NO4
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| Molecular Weight |
417.505
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C26H27NO4/c1-29-23-10-8-20(9-11-23)19-6-4-18(5-7-19)14-26(28)27-13-12-21-15-24(30-2)25(31-3)16-22(21)17-27/h4-11,15-16H,12-14,17H2,1-3H3
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| InChIKey |
ODESZRGYPOLTSA-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02516, Multidrug resistance-associated protein 1