General Information of the Compound
| Compound ID |
CP0539642
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| Compound Name |
US8853203, 99f
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| Structure |
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| Formula |
C23H19FN6O
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| Molecular Weight |
414.444
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| Canonical SMILES |
Fc1ncc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
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| InChI |
InChI=1S/C23H19FN6O/c24-23-26-9-15(10-27-23)16-2-1-3-18-17(16)6-7-30-20(18)8-21(25-11-22(30)31)29-12-19(28-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2
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| InChIKey |
LPSCBFOKMBVBFD-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