General Information of the Compound
| Compound ID |
CP0509396
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| Compound Name |
3-[3-(difluoromethoxy)pyridin-2-yl]-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
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| Structure |
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| Formula |
C18H14F2N6O2
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| Molecular Weight |
384.346
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| Canonical SMILES |
Cn1nc(-c2ncccc2OC(F)F)c2ncc(OCc3ccccn3)nc12
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| InChI |
InChI=1S/C18H14F2N6O2/c1-26-17-16(15(25-26)14-12(28-18(19)20)6-4-8-22-14)23-9-13(24-17)27-10-11-5-2-3-7-21-11/h2-9,18H,10H2,1H3
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| InChIKey |
ALTIRUHSTCYURC-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: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT00854, Metabotropic glutamate receptor 5