General Information of the Compound
| Compound ID |
CP0397828
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| Compound Name |
2-({(3r,6r)-1-[(2-cyclopropyl- 6-methoxypyridin-3- yl)carbonyl]-6- methylpiperidin-3-yl}oxy)-3- methylpyridine-4-carbonitrile
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(n1)C1CC1
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| InChI |
InChI=1S/C23H26N4O3/c1-14-4-7-18(30-22-15(2)17(12-24)10-11-25-22)13-27(14)23(28)19-8-9-20(29-3)26-21(19)16-5-6-16/h8-11,14,16,18H,4-7,13H2,1-3H3/t14-,18-/m1/s1
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| InChIKey |
PYHYFXUZMSOPCS-RDTXWAMCSA-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