General Information of the Compound
| Compound ID |
CP0397830
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| Compound Name |
N-[4-[(2R,5R)-5-(4-cyano-3-methylpyridin-2-yl)oxy-2-methylpiperidine-1-carbonyl]-5-phenylpyridin-2-yl]acetamide
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| Structure |
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| Formula |
C27H27N5O3
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| Molecular Weight |
469.545
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1cc(NC(C)=O)ncc1-c1ccccc1)Oc1nccc(C#N)c1C
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| InChI |
InChI=1S/C27H27N5O3/c1-17-9-10-22(35-26-18(2)21(14-28)11-12-29-26)16-32(17)27(34)23-13-25(31-19(3)33)30-15-24(23)20-7-5-4-6-8-20/h4-8,11-13,15,17,22H,9-10,16H2,1-3H3,(H,30,31,33)/t17-,22-/m1/s1
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| InChIKey |
ZADUJRZZPVOADJ-VGOFRKELSA-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