General Information of the Compound
| Compound ID |
CP0402213
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| Compound Name |
tert-butyl 4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidine-1-carboxylate
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| Structure |
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| Formula |
C19H24N2O2
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| Molecular Weight |
312.413
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C19H24N2O2/c1-15-7-5-9-17(20-15)10-6-8-16-11-13-21(14-12-16)18(22)23-19(2,3)4/h5,7-9H,11-14H2,1-4H3
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| InChIKey |
YKAWLNCHRFKROH-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