General Information of the Compound
| Compound ID |
CP0424961
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| Compound Name |
(1E,6E)-1,7-bis[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-4,4-bis(3-methylbut-2-enyl)hepta-1,6-diene-3,5-dione
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| Structure |
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| Formula |
C41H52O6
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| Molecular Weight |
640.861
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| Canonical SMILES |
COc1cc(\C=C\C(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)\C=C\c2ccc(OCC=C(C)C)c(OC)c2)ccc1OCC=C(C)C
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| InChI |
InChI=1S/C41H52O6/c1-29(2)19-23-41(24-20-30(3)4,39(42)17-13-33-11-15-35(37(27-33)44-9)46-25-21-31(5)6)40(43)18-14-34-12-16-36(38(28-34)45-10)47-26-22-32(7)8/h11-22,27-28H,23-26H2,1-10H3/b17-13+,18-14+
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| InChIKey |
QZVQQCQYQVEWQY-HBKJEHTGSA-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