General Information of the Compound
| Compound ID |
CP0398145
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| Compound Name |
N-[(5,6-dimethoxypyridin-2-yl)methyl]-6-(5-methylpyridin-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
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| Structure |
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| Formula |
C27H23N5O4
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| Molecular Weight |
481.512
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| Canonical SMILES |
COc1ccc(CNC(=O)c2cc(nc3onc(-c4ccccc4)c23)-c2cncc(C)c2)nc1OC
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| InChI |
InChI=1S/C27H23N5O4/c1-16-11-18(14-28-13-16)21-12-20(23-24(32-36-27(23)31-21)17-7-5-4-6-8-17)25(33)29-15-19-9-10-22(34-2)26(30-19)35-3/h4-14H,15H2,1-3H3,(H,29,33)
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| InChIKey |
WHZWFYAFOHLVJV-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