General Information of the Compound
| Compound ID |
CP0043939
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| Compound Name |
(2E,4Z,6Z)-8-[3,4-Dihydro-2H-naphthalen-(1E)-ylidene]-3,7-dimethyl-octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C20H22O2
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| Molecular Weight |
294.394
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| Canonical SMILES |
C\C(\C=C/C=C(/C)\C=C1/CCCc2ccccc12)=C/C(O)=O
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| InChI |
InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5-,15-7-,16-14+,18-13+
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| InChIKey |
PPGNMFUMZSAZCW-BVTSRZRCSA-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: PT01621, Retinoic acid receptor alpha
Protein ID: PT02120, Retinoic acid receptor beta
Protein ID: PT03152, Retinoic acid receptor RXR-alpha
Protein ID: PT02226, Retinoic acid receptor RXR-gamma