General Information of the Compound
| Compound ID |
CP0523013
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| Compound Name |
6-(2,6-dimethoxyphenyl)-1-[(2-phenylpyridin-4-yl)methyl]piperidin-2-one
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| Structure |
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| Formula |
C25H26N2O3
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| Molecular Weight |
402.494
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| Canonical SMILES |
COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-c1ccccc1
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| InChI |
InChI=1S/C25H26N2O3/c1-29-22-11-7-12-23(30-2)25(22)21-10-6-13-24(28)27(21)17-18-14-15-26-20(16-18)19-8-4-3-5-9-19/h3-5,7-9,11-12,14-16,21H,6,10,13,17H2,1-2H3
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| InChIKey |
SWNXCEHTAHZOAO-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