General Information of the Compound
| Compound ID |
CP0860847
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| Compound Name |
4'-((6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-methyl)-3-nitrobiphenyl-4-ol
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| Structure |
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| Formula |
C24H24N2O5
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| Molecular Weight |
420.465
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| Canonical SMILES |
COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)c([N+](=O)[O-])c3)cc1)CC2
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| InChI |
InChI=1S/C24H24N2O5/c1-30-23-12-19-9-10-25(15-20(19)13-24(23)31-2)14-16-3-5-17(6-4-16)18-7-8-22(27)21(11-18)26(28)29/h3-8,11-13,27H,9-10,14-15H2,1-2H3
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| InChIKey |
YXRWQRMPAJOBTR-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