General Information of the Compound
| Compound ID |
CP0457426
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| Compound Name |
N-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
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| Structure |
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| Formula |
C28H21F4N5O3S
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| Molecular Weight |
583.567
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| Canonical SMILES |
CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4C(F)(F)F)cc3F)c2s1
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| InChI |
InChI=1S/C28H21F4N5O3S/c1-2-37-14-21(34-15-37)24-12-20-27(41-24)23(9-10-33-20)40-22-8-7-16(11-18(22)29)35-25(38)13-26(39)36-19-6-4-3-5-17(19)28(30,31)32/h3-12,14-15H,2,13H2,1H3,(H,35,38)(H,36,39)
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| InChIKey |
XHYQGPMEHCDPLG-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