General Information of the Compound
| Compound ID |
CP0535977
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| Compound Name |
2-({(3r,6r)-1-[(2- cyclopropylphenyl)carbonyl]- 6-methylpiperidin-3-yl}oxy)-3- methylpyridine-4-carbonitrile
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| Structure |
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1CC1)Oc1nccc(C#N)c1C
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| InChI |
InChI=1S/C23H25N3O2/c1-15-7-10-19(28-22-16(2)18(13-24)11-12-25-22)14-26(15)23(27)21-6-4-3-5-20(21)17-8-9-17/h3-6,11-12,15,17,19H,7-10,14H2,1-2H3/t15-,19-/m1/s1
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| InChIKey |
UJLBYGRXKZZXPT-DNVCBOLYSA-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