General Information of the Compound
| Compound ID |
CP0530711
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| Compound Name |
7-[[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]chromen-2-one
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| Structure |
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| Formula |
C28H27NO5
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| Molecular Weight |
457.526
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| Canonical SMILES |
COc1cc2CCN(Cc3cccc(COc4ccc5ccc(=O)oc5c4)c3)Cc2cc1OC
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| InChI |
InChI=1S/C28H27NO5/c1-31-26-13-22-10-11-29(17-23(22)14-27(26)32-2)16-19-4-3-5-20(12-19)18-33-24-8-6-21-7-9-28(30)34-25(21)15-24/h3-9,12-15H,10-11,16-18H2,1-2H3
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| InChIKey |
QOKZZPBLVVZFTG-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