General Information of the Compound
| Compound ID |
CP0063934
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| Compound Name |
4-[4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl]sulfonylbenzonitrile
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| Structure |
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| Formula |
C21H19N3O2S
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| Molecular Weight |
377.469
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H19N3O2S/c1-17-4-2-6-20(23-17)7-3-5-18-12-14-24(15-13-18)27(25,26)21-10-8-19(16-22)9-11-21/h2,4-6,8-11H,12-15H2,1H3
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| InChIKey |
BNKGWCWPTBNUPV-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