General Information of the Compound
| Compound ID |
CP0458585
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| Compound Name |
N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C23H17ClN2O4
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| Molecular Weight |
420.852
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C23H17ClN2O4/c1-30-17-6-4-5-14(12-17)21(27)25-20-10-9-16(24)11-15(20)13-26-22(28)18-7-2-3-8-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27)
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| InChIKey |
URSPQVYFZHQLIN-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: PT00854, Metabotropic glutamate receptor 5
Protein ID: PT01247, Metabotropic glutamate receptor 5