General Information of the Compound
| Compound ID |
CP0544958
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| Compound Name |
3-(cyclopropylmethyl)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Formula |
C22H23F4N5
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| Molecular Weight |
433.453
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| Canonical SMILES |
Fc1ccccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
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| InChI |
InChI=1S/C22H23F4N5/c23-17-3-1-2-4-18(17)30-11-9-29(10-12-30)14-16-7-8-31-19(13-15-5-6-15)27-28-21(31)20(16)22(24,25)26/h1-4,7-8,15H,5-6,9-14H2
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| InChIKey |
PYPBLFWWKTTZTR-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