General Information of the Compound
| Compound ID |
CP0463178
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| Compound Name |
N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1H-1,3-benzodiazol-2-yl}pyridine-3-carboxamide
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| Structure |
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| Formula |
C27H18F4N6O3
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| Molecular Weight |
550.472
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| Canonical SMILES |
Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4cccnc4)[nH]c3c2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H18F4N6O3/c28-20-9-3-16(27(29,30)31)12-22(20)36-26(39)33-17-4-6-18(7-5-17)40-19-8-10-21-23(13-19)35-25(34-21)37-24(38)15-2-1-11-32-14-15/h1-14H,(H2,33,36,39)(H2,34,35,37,38)
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| InChIKey |
WXYYRQNZFXOQGI-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