General Information of the Compound
| Compound ID |
CP0518038
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| Compound Name |
2-(2-chloro-6-methylanilino)-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 |
C24H17ClF4N4O3
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| Molecular Weight |
520.87
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| Canonical SMILES |
Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c2[nH]1
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| InChI |
InChI=1S/C24H17ClF4N4O3/c1-11-3-2-4-16(25)18(11)32-23-31-17-10-15(20-21(19(17)33-23)36-6-5-35-20)22(34)30-14-8-12(24(27,28)29)7-13(26)9-14/h2-4,7-10H,5-6H2,1H3,(H,30,34)(H2,31,32,33)
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| InChIKey |
QSLCZLUCTIDWEL-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