General Information of the Compound
| Compound ID |
CP0405605
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| Compound Name |
1-(4-tert-butylphenyl)-3-(2-(2-isopropylphenyl)benzofuran-7-yl)urea
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| Structure |
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| Formula |
C28H30N2O2
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| Molecular Weight |
426.56
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| Canonical SMILES |
CC(C)c1ccccc1-c1cc2cccc(NC(=O)Nc3ccc(cc3)C(C)(C)C)c2o1
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| InChI |
InChI=1S/C28H30N2O2/c1-18(2)22-10-6-7-11-23(22)25-17-19-9-8-12-24(26(19)32-25)30-27(31)29-21-15-13-20(14-16-21)28(3,4)5/h6-18H,1-5H3,(H2,29,30,31)
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| InChIKey |
HAECLEXOCQYAGH-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