General Information of the Compound
| Compound ID |
CP0234531
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| Compound Name |
(3-methoxyphenyl)-[4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H22N2O2
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| Molecular Weight |
346.43
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| Canonical SMILES |
COc1cccc(c1)C(=O)N1CCC(CC1)=CC#Cc1cccc(C)n1
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| InChI |
InChI=1S/C22H22N2O2/c1-17-6-3-9-20(23-17)10-4-7-18-12-14-24(15-13-18)22(25)19-8-5-11-21(16-19)26-2/h3,5-9,11,16H,12-15H2,1-2H3
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| InChIKey |
RKYZXRFHJBMXQG-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