General Information of the Compound
| Compound ID |
CP0381563
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| Compound Name |
1,16-Bis[40-((6-methyl)-4H-chromen-4-on-2-yl)phenyl]-1,4,7,10,13,16-hexaoxahexadecane
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| Structure |
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| Formula |
C42H42O10
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| Molecular Weight |
706.788
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCOCCOCCOc2ccc(cc2)-c2cc(=O)c3cc(C)ccc3o2)cc1
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| InChI |
InChI=1S/C42H42O10/c1-29-3-13-39-35(25-29)37(43)27-41(51-39)31-5-9-33(10-6-31)49-23-21-47-19-17-45-15-16-46-18-20-48-22-24-50-34-11-7-32(8-12-34)42-28-38(44)36-26-30(2)4-14-40(36)52-42/h3-14,25-28H,15-24H2,1-2H3
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| InChIKey |
MJRMGLJQJOXSDU-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000309 | NCTC clone 929 | Mus musculus (Mouse) | 1 |
| 1 |
IC50 > 100000 nM
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TI
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LO
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