General Information of the Compound
| Compound ID |
CP0504450
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| Compound Name |
1-(2-(2-isopropylphenyl)benzofuran-7-yl)-3-(4-methyl-3-(trifluoromethyl)phenyl)urea
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| Structure |
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| Formula |
C26H23F3N2O2
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| Molecular Weight |
452.476
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| Canonical SMILES |
CC(C)c1ccccc1-c1cc2cccc(NC(=O)Nc3ccc(C)c(c3)C(F)(F)F)c2o1
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| InChI |
InChI=1S/C26H23F3N2O2/c1-15(2)19-8-4-5-9-20(19)23-13-17-7-6-10-22(24(17)33-23)31-25(32)30-18-12-11-16(3)21(14-18)26(27,28)29/h4-15H,1-3H3,(H2,30,31,32)
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| InChIKey |
SHSNONKGFIKNOE-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