General Information of the Compound
| Compound ID |
CP0040088
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| Compound Name |
(E)-3-[7-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzo[b]thiophen-2-yl]-but-2-enoic acid
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| Structure |
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| Formula |
C26H30O3S
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| Molecular Weight |
422.59
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| Canonical SMILES |
CCOc1c(cc(cc1-c1cccc2cc(sc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C26H30O3S/c1-7-29-25-21(16(4)5)12-19(15(2)3)13-22(25)20-10-8-9-18-14-23(30-26(18)20)17(6)11-24(27)28/h8-16H,7H2,1-6H3,(H,27,28)/b17-11+
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| InChIKey |
ROMUEEKDVNXHBX-GZTJUZNOSA-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