General Information of the Compound
| Compound ID |
CP0505103
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]-2-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C21H12ClF6N5O3
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| Molecular Weight |
531.8
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C21H12ClF6N5O3/c22-13-3-1-9(7-11(13)20(23,24)25)30-18(34)31-14-4-2-10(8-12(14)21(26,27)28)36-15-5-6-29-17-16(15)32-19(35)33-17/h1-8H,(H2,30,31,34)(H2,29,32,33,35)
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| InChIKey |
OBPHIYAAHBVYHD-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