General Information of the Compound
| Compound ID |
CP0439016
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| Compound Name |
1-(2-(2-isopropoxyphenyl)benzofuran-7-yl)-3-(4-(trifluoromethoxy)phenyl)urea
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| Structure |
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| Formula |
C25H21F3N2O4
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| Molecular Weight |
470.447
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| Canonical SMILES |
CC(C)Oc1ccccc1-c1cc2cccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2o1
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| InChI |
InChI=1S/C25H21F3N2O4/c1-15(2)32-21-9-4-3-7-19(21)22-14-16-6-5-8-20(23(16)33-22)30-24(31)29-17-10-12-18(13-11-17)34-25(26,27)28/h3-15H,1-2H3,(H2,29,30,31)
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| InChIKey |
RLMBYBMUDDHMRT-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