General Information of the Compound
| Compound ID |
CP0149221
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| Compound Name |
(E)-3-[4-(3,5-Di-tert-butyl-2-methyl-phenyl)-benzo[b]thiophen-2-yl]-but-2-enoic acid
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| Structure |
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| Formula |
C27H32O2S
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| Molecular Weight |
420.618
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| Canonical SMILES |
C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1C)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C27H32O2S/c1-16(12-25(28)29)24-15-21-19(10-9-11-23(21)30-24)20-13-18(26(3,4)5)14-22(17(20)2)27(6,7)8/h9-15H,1-8H3,(H,28,29)/b16-12+
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| InChIKey |
INBOQKPWAJGLHM-FOWTUZBSSA-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