General Information of the Compound
| Compound ID |
CP0459867
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| Compound Name |
US8853203, 18
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| Structure |
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| Formula |
C22H22N2O3
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| Molecular Weight |
362.429
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| Canonical SMILES |
COc1ccc(C)c(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1
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| InChI |
InChI=1S/C22H22N2O3/c1-14-7-8-15(26-2)11-18(14)19-12-20-16-5-4-6-21(27-3)17(16)9-10-24(20)22(25)13-23-19/h4-8,11-12H,9-10,13H2,1-3H3
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| InChIKey |
BIZATFGCHCLCSE-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