General Information of the Compound
| Compound ID |
CP0504452
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| Compound Name |
1-(4-butoxyphenyl)-3-(2-(2-isopropylphenyl)benzofuran-7-yl)urea
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| Structure |
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| Formula |
C28H30N2O3
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| Molecular Weight |
442.559
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| Canonical SMILES |
CCCCOc1ccc(NC(=O)Nc2cccc3cc(oc23)-c2ccccc2C(C)C)cc1
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| InChI |
InChI=1S/C28H30N2O3/c1-4-5-17-32-22-15-13-21(14-16-22)29-28(31)30-25-12-8-9-20-18-26(33-27(20)25)24-11-7-6-10-23(24)19(2)3/h6-16,18-19H,4-5,17H2,1-3H3,(H2,29,30,31)
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| InChIKey |
XGHMZNGMKKURIG-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