General Information of the Compound
| Compound ID |
CP0424383
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| Compound Name |
1-(3,3-Dimethylbutanolyl)-4-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,3,6-tetrahydorohydropyridine
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| Structure |
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| Formula |
C19H23FN4O
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| Molecular Weight |
342.418
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| Canonical SMILES |
CC(C)(C)CC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F
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| InChI |
InChI=1S/C19H23FN4O/c1-19(2,3)12-18(25)23-10-8-14(9-11-23)16-13-24(22-21-16)17-7-5-4-6-15(17)20/h4-8,13H,9-12H2,1-3H3
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| InChIKey |
WZEYRRLDGJKLKG-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT05866, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5