General Information of the Compound
| Compound ID |
CP0551485
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C24H16ClF5N4O3
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| Molecular Weight |
538.86
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| Canonical SMILES |
Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c3OCCOc3c12
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| InChI |
InChI=1S/C24H16ClF5N4O3/c1-34-19-17(32-23(34)33-18-14(25)3-2-4-16(18)27)10-12(20-21(19)37-8-7-36-20)22(35)31-11-5-6-15(26)13(9-11)24(28,29)30/h2-6,9-10H,7-8H2,1H3,(H,31,35)(H,32,33)
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| InChIKey |
MRUCMCCYXQYKGZ-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