General Information of the Compound
| Compound ID |
CP0444287
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| Compound Name |
6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one
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| Structure |
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| Formula |
C23H24N2O3
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| Molecular Weight |
376.456
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| Canonical SMILES |
COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ncccc2c1
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| InChI |
InChI=1S/C23H24N2O3/c1-27-20-8-4-9-21(28-2)23(20)19-7-3-10-22(26)25(19)15-16-11-12-18-17(14-16)6-5-13-24-18/h4-6,8-9,11-14,19H,3,7,10,15H2,1-2H3
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| InChIKey |
BMCFRYPTIUWHHV-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