General Information of the Compound
| Compound ID |
CP0398666
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C23H14ClF5N4O3
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| Molecular Weight |
524.833
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| Canonical SMILES |
Fc1cc(NC(=O)c2cc3nc(Nc4c(F)cccc4Cl)[nH]c3c3OCCOc23)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H14ClF5N4O3/c24-14-2-1-3-15(26)17(14)32-22-31-16-9-13(19-20(18(16)33-22)36-5-4-35-19)21(34)30-12-7-10(23(27,28)29)6-11(25)8-12/h1-3,6-9H,4-5H2,(H,30,34)(H2,31,32,33)
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| InChIKey |
MRYPPEUDZAFCER-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