General Information of the Compound
| Compound ID |
CP0098733
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| Compound Name |
ethyl 6-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]-2-azaspiro[3.3]heptane-2-carboxylate
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| Structure |
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| Formula |
C18H20N2O2
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| Molecular Weight |
296.37
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| Canonical SMILES |
CCOC(=O)N1CC2(C1)CC(C2)=CC#Cc1cccc(C)n1
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| InChI |
InChI=1S/C18H20N2O2/c1-3-22-17(21)20-12-18(13-20)10-15(11-18)7-5-9-16-8-4-6-14(2)19-16/h4,6-8H,3,10-13H2,1-2H3
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| InChIKey |
YNPRRNZDLRQOKC-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5