General Information of the Compound
| Compound ID |
CP0431451
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| Compound Name |
US8853203, 86
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| Structure |
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| Formula |
C24H21FN4O
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| Molecular Weight |
400.457
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| Canonical SMILES |
CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1
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| InChI |
InChI=1S/C24H21FN4O/c1-2-18-14-28(15-27-18)23-12-22-21-5-3-4-19(16-6-8-17(25)9-7-16)20(21)10-11-29(22)24(30)13-26-23/h3-9,12,14-15H,2,10-11,13H2,1H3
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| InChIKey |
FGROCZOSPDQYJD-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