General Information of the Compound
| Compound ID |
CP0482124
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| Compound Name |
[2-[2-(3,4-dichlorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
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| Structure |
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| Formula |
C21H23Cl2NO3
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| Molecular Weight |
408.325
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| Canonical SMILES |
COc1cccc(c1)C(=O)N1CCCCC1CCOc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H23Cl2NO3/c1-26-17-7-4-5-15(13-17)21(25)24-11-3-2-6-16(24)10-12-27-18-8-9-19(22)20(23)14-18/h4-5,7-9,13-14,16H,2-3,6,10-12H2,1H3
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| InChIKey |
CZWWVUYCUQLYEF-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