General Information of the Compound
| Compound ID |
CP0555137
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| Compound Name |
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methyl-2H-furan-5-one
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| Structure |
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| Formula |
C15H22O3
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| Molecular Weight |
250.338
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\COC1OC(=O)C(C)=C1
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| InChI |
InChI=1S/C15H22O3/c1-11(2)6-5-7-12(3)8-9-17-14-10-13(4)15(16)18-14/h6,8,10,14H,5,7,9H2,1-4H3/b12-8+
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| InChIKey |
QXOZKZRCDHETPZ-XYOKQWHBSA-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