General Information of the Compound
| Compound ID |
CP0455369
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| Compound Name |
7-[4-[1-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]butoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C40H35N3O7
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| Molecular Weight |
669.734
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| Canonical SMILES |
O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C40H35N3O7/c44-35-25-39(49-37-12-5-4-11-33(35)37)29-13-15-31(16-14-29)48-23-22-46-21-19-43-27-30(41-42-43)10-6-7-20-47-32-17-18-34-36(45)26-38(50-40(34)24-32)28-8-2-1-3-9-28/h1-5,8-9,11-18,24-27H,6-7,10,19-23H2
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| InChIKey |
BNOPLGZBEMRHAD-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
LI
LO
TS
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