General Information of the Compound
| Compound ID |
CP0541426
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| Compound Name |
US8853203, 114
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| Structure |
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| Formula |
C21H21FN4O2
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| Molecular Weight |
380.423
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| Canonical SMILES |
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)COC3)C2=C1
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| InChI |
InChI=1S/C21H21FN4O2/c1-2-14-10-25(13-24-14)19-8-18-16-4-3-5-17(21(22)11-28-12-21)15(16)6-7-26(18)20(27)9-23-19/h3-5,8,10,13H,2,6-7,9,11-12H2,1H3
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| InChIKey |
PQFSNCPHJWDIBO-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