General Information of the Compound
| Compound ID |
CP0060764
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| Compound Name |
ethyl 4-[3-(3-cyanophenyl)prop-2-ynylidene]piperidine-1-carboxylate
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| Structure |
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| Formula |
C18H18N2O2
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| Molecular Weight |
294.354
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)=CC#Cc1cccc(c1)C#N
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| InChI |
InChI=1S/C18H18N2O2/c1-2-22-18(21)20-11-9-15(10-12-20)5-3-6-16-7-4-8-17(13-16)14-19/h4-5,7-8,13H,2,9-12H2,1H3
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| InChIKey |
QWWMNIZBTUYTCH-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