General Information of the Compound
| Compound ID |
CP0096632
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| Compound Name |
2-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-ylidene]prop-1-ynyl]-6-methylpyridine
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| Structure |
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| Formula |
C21H22N2O3S
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| Molecular Weight |
382.485
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)=CC#Cc1cccc(C)n1
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| InChI |
InChI=1S/C21H22N2O3S/c1-17-5-3-7-19(22-17)8-4-6-18-13-15-23(16-14-18)27(24,25)21-11-9-20(26-2)10-12-21/h3,5-7,9-12H,13-16H2,1-2H3
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| InChIKey |
ZMSMHRWTKJCWBW-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