General Information of the Compound
| Compound ID |
CP0555072
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| Compound Name |
2-[(3R,6R)-6-methyl-1-[2-(2,2,2-trifluoroethyl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
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| Structure |
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| Formula |
C21H20F3N3O2
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| Molecular Weight |
403.404
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1CC(F)(F)F)Oc1cc(ccn1)C#N
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| InChI |
InChI=1S/C21H20F3N3O2/c1-14-6-7-17(29-19-10-15(12-25)8-9-26-19)13-27(14)20(28)18-5-3-2-4-16(18)11-21(22,23)24/h2-5,8-10,14,17H,6-7,11,13H2,1H3/t14-,17-/m1/s1
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| InChIKey |
WPGDMZIDTJHBQV-RHSMWYFYSA-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