General Information of the Compound
| Compound ID |
CP0398042
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| Compound Name |
5-(azetidin-1-yl)-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)pyridine-4-carboxamide
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| Structure |
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| Formula |
C23H25N5O3
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| Molecular Weight |
419.485
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| Canonical SMILES |
COc1ccc(CNC(=O)c2cc(ncc2N2CCC2)-c2cncc(C)c2)nc1OC
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| InChI |
InChI=1S/C23H25N5O3/c1-15-9-16(12-24-11-15)19-10-18(20(14-25-19)28-7-4-8-28)22(29)26-13-17-5-6-21(30-2)23(27-17)31-3/h5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,26,29)
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| InChIKey |
XAASINBHSOGOIV-UHFFFAOYSA-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