General Information of the Compound
| Compound ID |
CP0944316
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| Compound Name |
2-methoxy-4'-((6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-methyl)biphenyl-4-ol
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| Structure |
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| Formula |
C25H27NO4
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| Molecular Weight |
405.494
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| Canonical SMILES |
COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3OC)cc1)CC2
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| InChI |
InChI=1S/C25H27NO4/c1-28-23-14-21(27)8-9-22(23)18-6-4-17(5-7-18)15-26-11-10-19-12-24(29-2)25(30-3)13-20(19)16-26/h4-9,12-14,27H,10-11,15-16H2,1-3H3
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| InChIKey |
YZUGFKVZJMVUER-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