General Information of the Compound
| Compound ID |
CP0125952
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| Compound Name |
N-[4-(6-bromo-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C28H22BrFN4O4
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| Molecular Weight |
577.41
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1Br
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| InChI |
InChI=1S/C28H22BrFN4O4/c1-16-26(28(36)34(33(16)2)18-7-5-4-6-8-18)27(35)32-17-9-10-24(21(30)13-17)38-23-11-12-31-22-15-25(37-3)20(29)14-19(22)23/h4-15H,1-3H3,(H,32,35)
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| InChIKey |
XTPHJLPNQUXWCD-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