General Information of the Compound
| Compound ID |
CP0398737
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| Compound Name |
1-(4-(dimethylamino)phenyl)-3-(2-(2-isopropylphenyl)benzofuran-7-yl)urea
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| Structure |
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| Formula |
C26H27N3O2
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| Molecular Weight |
413.521
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| Canonical SMILES |
CC(C)c1ccccc1-c1cc2cccc(NC(=O)Nc3ccc(cc3)N(C)C)c2o1
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| InChI |
InChI=1S/C26H27N3O2/c1-17(2)21-9-5-6-10-22(21)24-16-18-8-7-11-23(25(18)31-24)28-26(30)27-19-12-14-20(15-13-19)29(3)4/h5-17H,1-4H3,(H2,27,28,30)
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| InChIKey |
HBJXASDMBWSGGU-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