General Information of the Compound
| Compound ID |
CP0044025
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| Compound Name |
(E)-3-[7-(3,5-Diisopropyl-2-propoxy-phenyl)-benzofuran-2-yl]-but-2-enoic acid
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| Structure |
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| Formula |
C27H32O4
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| Molecular Weight |
420.549
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| Canonical SMILES |
CCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C27H32O4/c1-7-11-30-27-22(17(4)5)13-20(16(2)3)14-23(27)21-10-8-9-19-15-24(31-26(19)21)18(6)12-25(28)29/h8-10,12-17H,7,11H2,1-6H3,(H,28,29)/b18-12+
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| InChIKey |
DPZKZYSYZRNUER-LDADJPATSA-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