General Information of the Compound
| Compound ID |
CP0410158
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| Compound Name |
3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(2h-tetrazol-2- yl)phenyl]carbonyl}piperidin- 3-yl]oxy}pyridine-4- carbonitrile
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| Structure |
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| Formula |
C21H21N7O2
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| Molecular Weight |
403.446
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Oc1nccc(C#N)c1C
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| InChI |
InChI=1S/C21H21N7O2/c1-14-7-8-17(30-20-15(2)16(11-22)9-10-23-20)12-27(14)21(29)18-5-3-4-6-19(18)28-25-13-24-26-28/h3-6,9-10,13-14,17H,7-8,12H2,1-2H3/t14-,17-/m1/s1
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| InChIKey |
CHKPVFWCKNMZBQ-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