General Information of the Compound
| Compound ID |
CP0100616
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| Compound Name |
4-[[(E)-Carboxymethoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-benzoic acid
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| Structure |
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| Formula |
C25H29NO5
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| Molecular Weight |
423.509
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| Canonical SMILES |
Cc1cc2c(cc1\C(=N\OCC(O)=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C25H29NO5/c1-15-12-19-20(25(4,5)11-10-24(19,2)3)13-18(15)22(26-31-14-21(27)28)16-6-8-17(9-7-16)23(29)30/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,28)(H,29,30)/b26-22+
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| InChIKey |
UYDVNKJJPDMLSG-XTCLZLMSSA-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