General Information of the Compound
| Compound ID |
CP0478372
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| Compound Name |
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
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| Structure |
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| Formula |
C25H24N2O3
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| Molecular Weight |
400.478
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| Canonical SMILES |
COc1cc2CCN(Cc3coc(n3)-c3ccc4ccccc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C25H24N2O3/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3
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| InChIKey |
IQVWYCBUDUURHF-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