General Information of the Compound
| Compound ID |
CP0205249
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| Compound Name |
2-phenylethyl 4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H24N2O2
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| Molecular Weight |
360.457
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)C(=O)OCCc1ccccc1
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| InChI |
InChI=1S/C23H24N2O2/c1-19-7-5-11-22(24-19)12-6-10-21-13-16-25(17-14-21)23(26)27-18-15-20-8-3-2-4-9-20/h2-5,7-11H,13-18H2,1H3
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| InChIKey |
SBRRGTBDKMGSKA-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