General Information of the Compound
| Compound ID |
CP0454687
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-1-ethyl-N-[3-fluoro-5-(trifluoromethyl)phenyl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C25H18ClF5N4O3
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| Molecular Weight |
552.887
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| Canonical SMILES |
CCn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c12
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| InChI |
InChI=1S/C25H18ClF5N4O3/c1-2-35-20-18(33-24(35)34-19-16(26)4-3-5-17(19)28)11-15(21-22(20)38-7-6-37-21)23(36)32-14-9-12(25(29,30)31)8-13(27)10-14/h3-5,8-11H,2,6-7H2,1H3,(H,32,36)(H,33,34)
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| InChIKey |
FRSHDLRVMASKKU-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