General Information of the Compound
| Compound ID |
CP0458660
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| Compound Name |
N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C20H13ClN4O3
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| Molecular Weight |
392.802
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| Canonical SMILES |
Clc1ccc(NC(=O)c2cccnn2)c(CN2C(=O)c3ccccc3C2=O)c1
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| InChI |
InChI=1S/C20H13ClN4O3/c21-13-7-8-16(23-18(26)17-6-3-9-22-24-17)12(10-13)11-25-19(27)14-4-1-2-5-15(14)20(25)28/h1-10H,11H2,(H,23,26)
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| InChIKey |
PHMXSCYSMAICDA-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