General Information of the Compound
| Compound ID |
CP0547291
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| Compound Name |
(2E,4E,6Z,8E)-8-[3-butyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid
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| Structure |
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| Formula |
C25H38O2
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| Molecular Weight |
370.577
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| Canonical SMILES |
CCCCC1=C(CCC(C)C)\C(CCC1)=C\C(\C)=C/C=C/C(/C)=C/C(O)=O
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| InChI |
InChI=1S/C25H38O2/c1-6-7-12-22-13-9-14-23(24(22)16-15-19(2)3)17-20(4)10-8-11-21(5)18-25(26)27/h8,10-11,17-19H,6-7,9,12-16H2,1-5H3,(H,26,27)/b11-8+,20-10-,21-18+,23-17+
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| InChIKey |
LNZQCOJFLDQABP-JFSMNYEXSA-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