General Information of the Compound
| Compound ID |
CP0427131
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| Compound Name |
6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one
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| Structure |
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| Formula |
C23H29NO4
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| Molecular Weight |
383.488
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| Canonical SMILES |
CCCOc1ccc(CN2C(CCCC2=O)c2c(OC)cccc2OC)cc1
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| InChI |
InChI=1S/C23H29NO4/c1-4-15-28-18-13-11-17(12-14-18)16-24-19(7-5-10-22(24)25)23-20(26-2)8-6-9-21(23)27-3/h6,8-9,11-14,19H,4-5,7,10,15-16H2,1-3H3
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| InChIKey |
TVKIFJXIZXJTCQ-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