General Information of the Compound
| Compound ID |
CP0456216
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| Compound Name |
3-[2-[2-(3,4-dichlorophenoxy)ethyl]piperidine-1-carbonyl]benzonitrile
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| Structure |
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| Formula |
C21H20Cl2N2O2
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| Molecular Weight |
403.309
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| Canonical SMILES |
Clc1ccc(OCCC2CCCCN2C(=O)c2cccc(c2)C#N)cc1Cl
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| InChI |
InChI=1S/C21H20Cl2N2O2/c22-19-8-7-18(13-20(19)23)27-11-9-17-6-1-2-10-25(17)21(26)16-5-3-4-15(12-16)14-24/h3-5,7-8,12-13,17H,1-2,6,9-11H2
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| InChIKey |
RRBNJFFSLKIBKR-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