General Information of the Compound
| Compound ID |
CP0472346
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| Compound Name |
US8853203, 14
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| Structure |
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| Formula |
C21H19ClN2O3
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| Molecular Weight |
382.847
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| Canonical SMILES |
COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cc(Cl)cc3C2=C1
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| InChI |
InChI=1S/C21H19ClN2O3/c1-26-15-5-3-4-13(8-15)18-11-19-17-9-14(22)10-20(27-2)16(17)6-7-24(19)21(25)12-23-18/h3-5,8-11H,6-7,12H2,1-2H3
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| InChIKey |
ROOMEZGVPRLVJD-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