General Information of the Compound
| Compound ID |
CP0398070
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| Compound Name |
[(2R,5R)-2-methyl-5-(6-methylpyridin-2-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C21H23N5O2
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| Molecular Weight |
377.448
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cccc(C)n1
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| InChI |
InChI=1S/C21H23N5O2/c1-15-6-5-9-20(24-15)28-17-11-10-16(2)25(14-17)21(27)18-7-3-4-8-19(18)26-22-12-13-23-26/h3-9,12-13,16-17H,10-11,14H2,1-2H3/t16-,17-/m1/s1
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| InChIKey |
CJFPRBWRDWEOGW-IAGOWNOFSA-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