General Information of the Compound
| Compound ID |
CP0035205
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| Compound Name |
2-[[(3R,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C21H22F4N4
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| Molecular Weight |
406.427
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| Canonical SMILES |
C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1F)C(F)(F)F
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| InChI |
InChI=1S/C21H22F4N4/c1-13-11-29(12-19-27-20-18(28(19)2)4-3-8-26-20)9-7-15(13)16-6-5-14(10-17(16)22)21(23,24)25/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1
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| InChIKey |
FVYBXACUKLZYDM-DZGCQCFKSA-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: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT01491, Metabotropic glutamate receptor 2