General Information of the Compound
| Compound ID |
CP0441411
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| Compound Name |
US8853203, 83
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| Structure |
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| Formula |
C21H15ClFN5O
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| Molecular Weight |
407.836
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| Canonical SMILES |
Fc1cncc(c1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(Cl)c1
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| InChI |
InChI=1S/C21H15ClFN5O/c22-19-11-27(12-26-19)20-7-18-17-3-1-2-15(13-6-14(23)9-24-8-13)16(17)4-5-28(18)21(29)10-25-20/h1-3,6-9,11-12H,4-5,10H2
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| InChIKey |
VTWLXSUHZLOQIX-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