General Information of the Compound
| Compound ID |
CP0510525
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| Compound Name |
6-(2,6-dimethoxyphenyl)-1-[(4-phenoxyphenyl)methyl]piperidin-2-one
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| Structure |
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| Formula |
C26H27NO4
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| Molecular Weight |
417.505
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| Canonical SMILES |
COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C26H27NO4/c1-29-23-11-7-12-24(30-2)26(23)22-10-6-13-25(28)27(22)18-19-14-16-21(17-15-19)31-20-8-4-3-5-9-20/h3-5,7-9,11-12,14-17,22H,6,10,13,18H2,1-2H3
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| InChIKey |
JIGAHDXVFLETEY-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1