General Information of the Compound
| Compound ID |
CP0459405
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| Compound Name |
methyl 2-[(2R,5R)-5-(4-cyanopyridin-2-yl)oxy-2-methylpiperidine-1-carbonyl]benzoate
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| Structure |
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| Formula |
C21H21N3O4
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| Molecular Weight |
379.416
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| Canonical SMILES |
COC(=O)c1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1cc(ccn1)C#N
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| InChI |
InChI=1S/C21H21N3O4/c1-14-7-8-16(28-19-11-15(12-22)9-10-23-19)13-24(14)20(25)17-5-3-4-6-18(17)21(26)27-2/h3-6,9-11,14,16H,7-8,13H2,1-2H3/t14-,16-/m1/s1
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| InChIKey |
KDORUZKGOZBYLX-GDBMZVCRSA-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