General Information of the Compound
| Compound ID |
CP0522011
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| Compound Name |
3-(4-(6,7-dimethoxyquinolin-4-yloxy)-3-fluorophenylamino)-4,4,4-trifluoro-N-phenylbutanamide
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| Structure |
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| Formula |
C27H23F4N3O4
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| Molecular Weight |
529.49
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(CC(=O)Nc4ccccc4)C(F)(F)F)cc3F)c2cc1OC
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| InChI |
InChI=1S/C27H23F4N3O4/c1-36-23-13-18-20(14-24(23)37-2)32-11-10-21(18)38-22-9-8-17(12-19(22)28)33-25(27(29,30)31)15-26(35)34-16-6-4-3-5-7-16/h3-14,25,33H,15H2,1-2H3,(H,34,35)
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| InChIKey |
VVCJSJLTDUKFKI-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: PT01201, Hepatocyte growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2