General Information of the Compound
| Compound ID |
CP0122733
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| Compound Name |
(2E,4E)-3-Methyl-6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-cyclopropyl]-hexa-2,4-dienoic acid
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| Structure |
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| Formula |
C25H34O2
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| Molecular Weight |
366.545
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| Canonical SMILES |
C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
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| InChI |
InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-9-25(12-13-25)19-16-21-20(15-18(19)2)23(3,4)10-11-24(21,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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| InChIKey |
QCNVQJSKAXKQEF-ZFKNLEDPSA-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: PT01452, Retinoic acid receptor beta
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT02538, Retinoic acid receptor RXR-beta
Protein ID: PT02226, Retinoic acid receptor RXR-gamma