General Information of the Compound
| Compound ID |
CP0392826
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| Compound Name |
(E)-3-[3-(2-Butoxy-3,5-diisopropyl-phenyl)-1-methyl-1H-indol-5-yl]-but-2-enoic acid
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| Structure |
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| Formula |
C29H37NO3
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| Molecular Weight |
447.619
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| Canonical SMILES |
CCCCOc1c(cc(cc1-c1cn(C)c2ccc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C29H37NO3/c1-8-9-12-33-29-23(19(4)5)15-22(18(2)3)16-25(29)26-17-30(7)27-11-10-21(14-24(26)27)20(6)13-28(31)32/h10-11,13-19H,8-9,12H2,1-7H3,(H,31,32)/b20-13+
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| InChIKey |
VVRKVTWLLQOKMZ-DEDYPNTBSA-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