General Information of the Compound
| Compound ID |
CP0874272
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| Compound Name |
2,2'-(4,4'-(3,6,9,12,15-pentaoxaheptadecane-1,17-diylbis(oxy))bis(4,1-phenylene))bis(7-methyl-4H-chromen-4-one)
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| Structure |
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| Formula |
C44H46O11
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| Molecular Weight |
750.841
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| Canonical SMILES |
Cc1ccc2c(=O)cc(-c3ccc(OCCOCCOCCOCCOCCOCCOc4ccc(-c5cc(=O)c6ccc(C)cc6o5)cc4)cc3)oc2c1
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| InChI |
InChI=1S/C44H46O11/c1-31-3-13-37-39(45)29-41(54-43(37)27-31)33-5-9-35(10-6-33)52-25-23-50-21-19-48-17-15-47-16-18-49-20-22-51-24-26-53-36-11-7-34(8-12-36)42-30-40(46)38-14-4-32(2)28-44(38)55-42/h3-14,27-30H,15-26H2,1-2H3
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| InChIKey |
HVTVBFDOTWMKPQ-UHFFFAOYSA-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