General Information of the Compound
| Compound ID |
CP0375445
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| Compound Name |
N-tert-butyl-4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
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| Structure |
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| Formula |
C18H22FN5O
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| Molecular Weight |
343.406
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| Canonical SMILES |
CC(C)(C)NC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F
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| InChI |
InChI=1S/C18H22FN5O/c1-18(2,3)20-17(25)23-10-8-13(9-11-23)15-12-24(22-21-15)16-7-5-4-6-14(16)19/h4-8,12H,9-11H2,1-3H3,(H,20,25)
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| InChIKey |
VOFZVGRAKOZVJU-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