General Information of the Compound
| Compound ID |
CP0098720
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| Compound Name |
2-methyl-6-[3-[1-(4-methylphenyl)sulfonylpiperidin-4-ylidene]prop-1-ynyl]pyridine
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| Structure |
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| Formula |
C21H22N2O2S
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| Molecular Weight |
366.486
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)=CC#Cc1cccc(C)n1
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| InChI |
InChI=1S/C21H22N2O2S/c1-17-9-11-21(12-10-17)26(24,25)23-15-13-19(14-16-23)6-4-8-20-7-3-5-18(2)22-20/h3,5-7,9-12H,13-16H2,1-2H3
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| InChIKey |
MSTJOBPAXRNQDB-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