General Information of the Compound
| Compound ID |
CP0039590
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| Compound Name |
3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
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| Structure |
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| Formula |
C21H11F6N3O4
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| Molecular Weight |
483.324
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| Canonical SMILES |
Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
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| InChI |
InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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| InChIKey |
VVYFYJMXONNWBA-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: PT01381, Serine/threonine-protein kinase B-raf