General Information of the Compound
| Compound ID |
CP0390190
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| Compound Name |
[2-[2-(3,4-dichlorophenoxy)ethyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
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| Structure |
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| Formula |
C20H19Cl4NO2
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| Molecular Weight |
447.189
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| Canonical SMILES |
Clc1ccc(OCCC2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl
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| InChI |
InChI=1S/C20H19Cl4NO2/c21-16-6-4-13(11-18(16)23)20(26)25-9-2-1-3-14(25)8-10-27-15-5-7-17(22)19(24)12-15/h4-7,11-12,14H,1-3,8-10H2
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| InChIKey |
NTLDOCBFCPCJIF-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