General Information of the Compound
| Compound ID |
CP0413129
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| Compound Name |
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C28H18F4N6O2S
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| Molecular Weight |
578.551
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cn(nc4C(F)(F)F)-c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C28H18F4N6O2S/c1-37-14-21(34-15-37)24-12-20-25(41-24)23(9-10-33-20)40-22-8-7-16(11-19(22)29)35-27(39)18-13-38(17-5-3-2-4-6-17)36-26(18)28(30,31)32/h2-15H,1H3,(H,35,39)
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| InChIKey |
CSHKPXBUKCDALG-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: PT00933, Macrophage-stimulating protein receptor