General Information of the Compound
| Compound ID |
CP0568137
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| Compound Name |
[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone
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| Formula |
C22H20F5N5O
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| Molecular Weight |
465.426
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| Canonical SMILES |
Fc1ccc(N2CCN(CC2)C(=O)c2cnc3n(CC4CC4)ncc3c2C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C22H20F5N5O/c23-14-3-4-18(17(24)9-14)30-5-7-31(8-6-30)21(33)16-10-28-20-15(19(16)22(25,26)27)11-29-32(20)12-13-1-2-13/h3-4,9-11,13H,1-2,5-8,12H2
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| InChIKey |
QZBSALDEUVKOGG-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