General Information of the Compound
| Compound ID |
CP0450150
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| Compound Name |
US8853203, 97
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| Structure |
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| Formula |
C24H20FN5O
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| Molecular Weight |
413.456
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| Canonical SMILES |
Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
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| InChI |
InChI=1S/C24H20FN5O/c25-24-19(5-2-9-26-24)16-3-1-4-18-17(16)8-10-30-21(18)11-22(27-12-23(30)31)29-13-20(28-14-29)15-6-7-15/h1-5,9,11,13-15H,6-8,10,12H2
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| InChIKey |
STQRBUUKFGQBAK-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: PT00854, Metabotropic glutamate receptor 5