General Information of the Compound
| Compound ID |
CP0451471
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-3H-[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 |
Fc1cc(CNC(=O)c2cc3nc(Nc4c(F)cccc4Cl)[nH]c3c3OCCOc23)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H16ClF5N4O3/c25-15-2-1-3-16(27)18(15)33-23-32-17-9-14(20-21(19(17)34-23)37-5-4-36-20)22(35)31-10-11-6-12(24(28,29)30)8-13(26)7-11/h1-3,6-9H,4-5,10H2,(H,31,35)(H2,32,33,34)
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| InChIKey |
JTYSWMCEDBWWCC-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