General Information of the Compound
| Compound ID |
CP0279489
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| Compound Name |
2-({(3r,6r)-1-[(2- ethoxyphenyl)carbonyl]-6- methylpiperidin-3-yl}oxy)-3- methylpyridine-4-carbonitrile
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| Structure |
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| Formula |
C22H25N3O3
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| Molecular Weight |
379.46
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| Canonical SMILES |
CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C
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| InChI |
InChI=1S/C22H25N3O3/c1-4-27-20-8-6-5-7-19(20)22(26)25-14-18(10-9-15(25)2)28-21-16(3)17(13-23)11-12-24-21/h5-8,11-12,15,18H,4,9-10,14H2,1-3H3/t15-,18-/m1/s1
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| InChIKey |
JPIWUEFZXNEMEU-CRAIPNDOSA-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