General Information of the Compound
| Compound ID |
CP0072660
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| Compound Name |
3-[4-(4-chlorophenyl)-7-fluoroquinolin-3-yl]sulfonylbenzonitrile
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| Structure |
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| Formula |
C22H12ClFN2O2S
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| Molecular Weight |
422.868
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| Canonical SMILES |
Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1cccc(c1)C#N
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| InChI |
InChI=1S/C22H12ClFN2O2S/c23-16-6-4-15(5-7-16)22-19-9-8-17(24)11-20(19)26-13-21(22)29(27,28)18-3-1-2-14(10-18)12-25/h1-11,13H
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| InChIKey |
BXQVEFQXOWJFLQ-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