General Information of the Compound
| Compound ID |
CP0433292
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| Compound Name |
1,2-dimethoxy-3-[[2-(2-phenylethyl)phenoxy]methyl]benzene
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| Structure |
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| Formula |
C23H24O3
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| Molecular Weight |
348.442
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| Canonical SMILES |
COc1cccc(COc2ccccc2CCc2ccccc2)c1OC
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| InChI |
InChI=1S/C23H24O3/c1-24-22-14-8-12-20(23(22)25-2)17-26-21-13-7-6-11-19(21)16-15-18-9-4-3-5-10-18/h3-14H,15-17H2,1-2H3
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| InChIKey |
XTPXWJXAQGAVBD-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2