General Information of the Compound
| Compound ID |
CP0096669
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| Compound Name |
2-[3-(1-ethylsulfonylpiperidin-4-ylidene)prop-1-ynyl]-6-methylpyridine
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| Structure |
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| Formula |
C16H20N2O2S
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| Molecular Weight |
304.415
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| Canonical SMILES |
CCS(=O)(=O)N1CCC(CC1)=CC#Cc1cccc(C)n1
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| InChI |
InChI=1S/C16H20N2O2S/c1-3-21(19,20)18-12-10-15(11-13-18)7-5-9-16-8-4-6-14(2)17-16/h4,6-8H,3,10-13H2,1-2H3
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| InChIKey |
JDDRVVYNQIPVOX-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