General Information of the Compound
| Compound ID |
CP0448331
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| Compound Name |
2-[(3R,6R)-1-[2-(difluoromethoxy)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
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| Structure |
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| Formula |
C20H19F2N3O3
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| Molecular Weight |
387.386
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)F)Oc1cc(ccn1)C#N
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| InChI |
InChI=1S/C20H19F2N3O3/c1-13-6-7-15(27-18-10-14(11-23)8-9-24-18)12-25(13)19(26)16-4-2-3-5-17(16)28-20(21)22/h2-5,8-10,13,15,20H,6-7,12H2,1H3/t13-,15-/m1/s1
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| InChIKey |
JCDJUPCHHNRGJF-UKRRQHHQSA-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