General Information of the Compound
| Compound ID |
CP0474157
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| Compound Name |
2-(3,5-difluorophenyl)-1-[4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C22H20F2N2O
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| Molecular Weight |
366.411
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)C(=O)Cc1cc(F)cc(F)c1
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| InChI |
InChI=1S/C22H20F2N2O/c1-16-4-2-6-21(25-16)7-3-5-17-8-10-26(11-9-17)22(27)14-18-12-19(23)15-20(24)13-18/h2,4-6,12-13,15H,8-11,14H2,1H3
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| InChIKey |
YUJYDHJYCTZBKX-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