General Information of the Compound
| Compound ID |
CP0416671
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| Compound Name |
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-fluoro-2-oxo-1-phenylpyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H23F2N3O5
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| Molecular Weight |
519.504
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(=O)C4(F)CCN(C4=O)c4ccccc4)cc3F)c2cc1OC
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| InChI |
InChI=1S/C28H23F2N3O5/c1-36-24-15-19-21(16-25(24)37-2)31-12-10-22(19)38-23-9-8-17(14-20(23)29)32-26(34)28(30)11-13-33(27(28)35)18-6-4-3-5-7-18/h3-10,12,14-16H,11,13H2,1-2H3,(H,32,34)
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| InChIKey |
WLDCXGNTAXVYLK-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