General Information of the Compound
| Compound ID |
CP0063990
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| Compound Name |
(2E,4E)-6-[1-(3,5-Di-tert-butyl-phenyl)-cyclopropyl]-3-methyl-hexa-2,4-dienoic acid
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| Structure |
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| Formula |
C24H34O2
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| Molecular Weight |
354.534
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| Canonical SMILES |
C\C(\C=C\CC1(CC1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
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| InChI |
InChI=1S/C24H34O2/c1-17(13-21(25)26)9-8-10-24(11-12-24)20-15-18(22(2,3)4)14-19(16-20)23(5,6)7/h8-9,13-16H,10-12H2,1-7H3,(H,25,26)/b9-8+,17-13+
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| InChIKey |
BGVPDBYBQCFFGN-KSWQMODOSA-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: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta
Protein ID: PT01806, Retinoic acid receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT02538, Retinoic acid receptor RXR-beta
Protein ID: PT02226, Retinoic acid receptor RXR-gamma