General Information of the Compound
| Compound ID |
CP0548201
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| Compound Name |
4-{[(6-Chloro-3-methyl-2-phenylquinolin-4-yl)carbonyl]amino}-3-fluorobenzoic acid
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| Structure |
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| Formula |
C24H16ClFN2O3
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| Molecular Weight |
434.854
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| Canonical SMILES |
Cc1c(nc2ccc(Cl)cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C24H16ClFN2O3/c1-13-21(23(29)28-20-9-7-15(24(30)31)11-18(20)26)17-12-16(25)8-10-19(17)27-22(13)14-5-3-2-4-6-14/h2-12H,1H3,(H,28,29)(H,30,31)
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| InChIKey |
XSVDBJSFVAZDBV-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