General Information of the Compound
| Compound ID |
CP0447277
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| Compound Name |
3-methyl-2-({(3r,6r)-6- methyl-1-[(2-phenylpyridin-3- yl)carbonyl]piperidin-3- yl}oxy)pyridine-4-carbonitrile
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| Structure |
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| Formula |
C25H24N4O2
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| Molecular Weight |
412.493
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1-c1ccccc1)Oc1nccc(C#N)c1C
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| InChI |
InChI=1S/C25H24N4O2/c1-17-10-11-21(31-24-18(2)20(15-26)12-14-28-24)16-29(17)25(30)22-9-6-13-27-23(22)19-7-4-3-5-8-19/h3-9,12-14,17,21H,10-11,16H2,1-2H3/t17-,21-/m1/s1
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| InChIKey |
IFTYBIGPHOJMPL-DYESRHJHSA-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