General Information of the Compound
| Compound ID |
CP0499447
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
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| Structure |
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| Formula |
C25H17ClF3N5O3
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| Molecular Weight |
527.89
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| Canonical SMILES |
Cn1c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c4ccccc34)c2[nH]c1=O
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| InChI |
InChI=1S/C25H17ClF3N5O3/c1-34-22-21(33-24(34)36)20(10-11-30-22)37-19-9-8-18(14-4-2-3-5-15(14)19)32-23(35)31-13-6-7-17(26)16(12-13)25(27,28)29/h2-12H,1H3,(H,33,36)(H2,31,32,35)
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| InChIKey |
FMBZTHQYLQEBSA-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