General Information of the Compound
| Compound ID |
CP0168551
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| Compound Name |
2-[3-[1-(3-bromophenyl)sulfonylpiperidin-4-ylidene]prop-1-ynyl]-6-methylpyridine
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| Structure |
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| Formula |
C20H19BrN2O2S
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| Molecular Weight |
431.355
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)S(=O)(=O)c1cccc(Br)c1
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| InChI |
InChI=1S/C20H19BrN2O2S/c1-16-5-2-8-19(22-16)9-3-6-17-11-13-23(14-12-17)26(24,25)20-10-4-7-18(21)15-20/h2,4-8,10,15H,11-14H2,1H3
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| InChIKey |
RYONOLMMZJYWEO-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