General Information of the Compound
| Compound ID |
CP0060761
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| Compound Name |
1-[4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C18H22N2O
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| Molecular Weight |
282.387
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| Canonical SMILES |
CCCC(=O)N1CCC(CC1)=CC#Cc1cccc(C)n1
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| InChI |
InChI=1S/C18H22N2O/c1-3-6-18(21)20-13-11-16(12-14-20)8-5-10-17-9-4-7-15(2)19-17/h4,7-9H,3,6,11-14H2,1-2H3
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| InChIKey |
HEWBJUZWTAYGRE-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