General Information of the Compound
| Compound ID |
CP0458064
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| Compound Name |
3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C23H23F5N4
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| Molecular Weight |
450.455
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| Canonical SMILES |
Fc1ccc(C2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
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| InChI |
InChI=1S/C23H23F5N4/c24-17-3-4-18(19(25)12-17)15-5-8-31(9-6-15)13-16-7-10-32-20(11-14-1-2-14)29-30-22(32)21(16)23(26,27)28/h3-4,7,10,12,14-15H,1-2,5-6,8-9,11,13H2
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| InChIKey |
CRUGMDQKVDVGOQ-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: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT01312, Metabotropic glutamate receptor 3
Protein ID: PT02199, Metabotropic glutamate receptor 4
Protein ID: PT00854, Metabotropic glutamate receptor 5
Protein ID: PT02744, Metabotropic glutamate receptor 6
Protein ID: PT02739, Metabotropic glutamate receptor 8