General Information of the Compound
| Compound ID |
CP0494547
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| Compound Name |
propan-2-yl 4-[1-(2-fluoropyridin-3-yl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
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| Structure |
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| Formula |
C16H18FN5O2
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| Molecular Weight |
331.351
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1F
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| InChI |
InChI=1S/C16H18FN5O2/c1-11(2)24-16(23)21-8-5-12(6-9-21)13-10-22(20-19-13)14-4-3-7-18-15(14)17/h3-5,7,10-11H,6,8-9H2,1-2H3
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| InChIKey |
MWBWDQVGXJWEDX-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