General Information of the Compound
| Compound ID |
CP0424385
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| Compound Name |
tert-butyl 4-[1-(3-fluoropyridin-2-yl)-5-methyltriazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
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| Structure |
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| Formula |
C18H22FN5O2
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| Molecular Weight |
359.405
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| Canonical SMILES |
Cc1c(nnn1-c1ncccc1F)C1=CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C18H22FN5O2/c1-12-15(21-22-24(12)16-14(19)6-5-9-20-16)13-7-10-23(11-8-13)17(25)26-18(2,3)4/h5-7,9H,8,10-11H2,1-4H3
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| InChIKey |
INXYUZGZBZNQGF-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: PT05866, Metabotropic glutamate receptor 1
Protein ID: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5