General Information of the Compound
| Compound ID |
CP0558305
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| Compound Name |
4-[(6-bromo-3-methyl-2-phenylquinolin-4-yl)methoxy]-3-fluorobenzoic acid
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| Formula |
C24H17BrFNO3
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| Molecular Weight |
466.306
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| Canonical SMILES |
Cc1c(COc2ccc(cc2F)C(O)=O)c2cc(Br)ccc2nc1-c1ccccc1
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| InChI |
InChI=1S/C24H17BrFNO3/c1-14-19(13-30-22-10-7-16(24(28)29)11-20(22)26)18-12-17(25)8-9-21(18)27-23(14)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,28,29)
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| InChIKey |
VYILVUHVCFUNJS-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