General Information of the Compound
| Compound ID |
CP0105799
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| Compound Name |
4-{(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-[(E)-propoxyimino]-methyl}-benzoic acid
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| Structure |
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| Formula |
C26H33NO3
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| Molecular Weight |
407.554
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| Canonical SMILES |
CCCO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C26H33NO3/c1-7-14-30-27-23(18-8-10-19(11-9-18)24(28)29)20-16-22-21(15-17(20)2)25(3,4)12-13-26(22,5)6/h8-11,15-16H,7,12-14H2,1-6H3,(H,28,29)/b27-23+
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| InChIKey |
FCWJGEDDKBUMAI-SLEBQGDGSA-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma