General Information of the Compound
| Compound ID |
CP0409795
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| Compound Name |
(E)-3-[3-(2-Hydroxy-3,5-diisopropyl-phenyl)-benzo[b]thiophen-5-yl]-but-2-enoic acid
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| Structure |
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| Formula |
C24H26O3S
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| Molecular Weight |
394.536
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| Canonical SMILES |
CC(C)c1cc(C(C)C)c(O)c(c1)-c1csc2ccc(cc12)C(\C)=C\C(O)=O
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| InChI |
InChI=1S/C24H26O3S/c1-13(2)17-10-18(14(3)4)24(27)20(11-17)21-12-28-22-7-6-16(9-19(21)22)15(5)8-23(25)26/h6-14,27H,1-5H3,(H,25,26)/b15-8+
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| InChIKey |
NMHQVMAYMWJCJH-OVCLIPMQSA-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
Protein ID: PT01806, Retinoic acid receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha