General Information of the Compound
| Compound ID |
CP0488992
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| Compound Name |
US8853203, 132
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| Structure |
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
COC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
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| InChI |
InChI=1S/C21H20N4O3/c1-28-21(27)16-4-2-3-15-14(16)7-8-25-18(15)9-19(22-10-20(25)26)24-11-17(23-12-24)13-5-6-13/h2-4,9,11-13H,5-8,10H2,1H3
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| InChIKey |
PFKWBHOBGFIHNI-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