General Information of the Compound
| Compound ID |
CP0420379
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| Compound Name |
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C28H17F5N6O2S
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| Molecular Weight |
596.541
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccc(F)cc4)cc3F)c2s1
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| InChI |
InChI=1S/C28H17F5N6O2S/c1-38-13-21(35-14-38)24-11-20-25(42-24)23(8-9-34-20)41-22-7-4-16(10-19(22)30)37-27(40)18-12-36-39(26(18)28(31,32)33)17-5-2-15(29)3-6-17/h2-14H,1H3,(H,37,40)
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| InChIKey |
FGJHVCDRNKYQFS-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