General Information of the Compound
| Compound ID |
CP0392213
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| Compound Name |
7-[2-[[1-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C39H33N3O8
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| Molecular Weight |
671.706
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| Canonical SMILES |
O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C39H33N3O8/c43-34-23-38(49-36-9-5-4-8-32(34)36)28-10-12-30(13-11-28)47-20-18-45-17-16-42-25-29(40-41-42)26-46-19-21-48-31-14-15-33-35(44)24-37(50-39(33)22-31)27-6-2-1-3-7-27/h1-15,22-25H,16-21,26H2
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| InChIKey |
SVUNHZVMHHJPDD-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 > 50000 nM
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TI
LI
LO
TS
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