General Information of the Compound
| Compound ID |
CP0519407
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| Compound Name |
7-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]azepan-2-one
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| Structure |
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| Formula |
C22H24F3NO4
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| Molecular Weight |
423.431
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| Canonical SMILES |
COc1cccc(OC)c1C1CCCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H24F3NO4/c1-28-18-7-5-8-19(29-2)21(18)17-6-3-4-9-20(27)26(17)14-15-10-12-16(13-11-15)30-22(23,24)25/h5,7-8,10-13,17H,3-4,6,9,14H2,1-2H3
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| InChIKey |
DEODPADYZFXAGB-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