General Information of the Compound
| Compound ID |
CP0045447
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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-(2-methoxyphenyl)butanamide
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| Structure |
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| Formula |
C28H23F4N5O3S
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| Molecular Weight |
585.583
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| Canonical SMILES |
COc1ccccc1NC(=O)CC(Nc1ccc(Oc2ccnc3cc(sc23)-c2cn(C)cn2)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C28H23F4N5O3S/c1-37-14-20(34-15-37)24-12-19-27(41-24)23(9-10-33-19)40-21-8-7-16(11-17(21)29)35-25(28(30,31)32)13-26(38)36-18-5-3-4-6-22(18)39-2/h3-12,14-15,25,35H,13H2,1-2H3,(H,36,38)
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| InChIKey |
FVWWFRASLMZWEX-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