General Information of the Compound
| Compound ID |
CP0435111
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| Compound Name |
US8853203, 99q
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| Structure |
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| Formula |
C23H18F2N6O
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| Molecular Weight |
432.434
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| Canonical SMILES |
Fc1ccc2C3=CC(=NCC(=O)N3CCc2c1-c1cccnc1F)n1cnc(n1)C1CC1
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| InChI |
InChI=1S/C23H18F2N6O/c24-17-6-5-14-15(21(17)16-2-1-8-26-22(16)25)7-9-30-18(14)10-19(27-11-20(30)32)31-12-28-23(29-31)13-3-4-13/h1-2,5-6,8,10,12-13H,3-4,7,9,11H2
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| InChIKey |
WDNHPVBODHITJV-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