General Information of the Compound
| Compound ID |
CP0508484
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-[3-(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 |
C23H15ClF4N4O3
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| Molecular Weight |
506.843
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| Canonical SMILES |
Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OCCOc3c2[nH]1
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| InChI |
InChI=1S/C23H15ClF4N4O3/c24-14-5-2-6-15(25)17(14)31-22-30-16-10-13(19-20(18(16)32-22)35-8-7-34-19)21(33)29-12-4-1-3-11(9-12)23(26,27)28/h1-6,9-10H,7-8H2,(H,29,33)(H2,30,31,32)
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| InChIKey |
GIAWUHZNAPQHGD-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