General Information of the Compound
| Compound ID |
CP0573901
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| Compound Name |
(1E,6E)-1,7-bis[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]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)CC(=O)\C=C\c2ccc(OC\C=C(/C)CCC=C(C)C)c(OC)c2)ccc1OC\C=C(/C)CCC=C(C)C
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| InChI |
InChI=1S/C41H52O6/c1-30(2)11-9-13-32(5)23-25-46-38-21-17-34(27-40(38)44-7)15-19-36(42)29-37(43)20-16-35-18-22-39(41(28-35)45-8)47-26-24-33(6)14-10-12-31(3)4/h11-12,15-24,27-28H,9-10,13-14,25-26,29H2,1-8H3/b19-15+,20-16+,32-23+,33-24+
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| InChIKey |
ZOMGRILLUAFNOQ-XWFCZIMXSA-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