General Information of the Compound
| Compound ID |
CP0391757
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| Compound Name |
3-methyl-2-{[(3r,6r)-6- methyl-1-{[2- (trifluoromethoxy)phenyl] carbonyl}piperidin-3- yl]oxy}pyridine-4-carbonitrile
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| Structure |
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| Formula |
C21H20F3N3O3
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| Molecular Weight |
419.403
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)(F)F)Oc1nccc(C#N)c1C
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| InChI |
InChI=1S/C21H20F3N3O3/c1-13-7-8-16(29-19-14(2)15(11-25)9-10-26-19)12-27(13)20(28)17-5-3-4-6-18(17)30-21(22,23)24/h3-6,9-10,13,16H,7-8,12H2,1-2H3/t13-,16-/m1/s1
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| InChIKey |
OBVPEWXALAKGHS-CZUORRHYSA-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