General Information of the Compound
| Compound ID |
CP0376373
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| Compound Name |
4,4,4-trifluoro-3-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylamino)-N-(4-fluorophenyl)butanamide
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| Structure |
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| Formula |
C27H20F5N5O2S
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| Molecular Weight |
573.547
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(CC(=O)Nc4ccc(F)cc4)C(F)(F)F)cc3F)c2s1
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| InChI |
InChI=1S/C27H20F5N5O2S/c1-37-13-20(34-14-37)23-11-19-26(40-23)22(8-9-33-19)39-21-7-6-17(10-18(21)29)35-24(27(30,31)32)12-25(38)36-16-4-2-15(28)3-5-16/h2-11,13-14,24,35H,12H2,1H3,(H,36,38)
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| InChIKey |
NQLLIQIRTXVXRX-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
Cell-based Assay
Protein ID: PT00864, Vascular endothelial growth factor receptor 2