General Information of the Compound
| Compound ID |
CP0426779
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| Compound Name |
2-[4-[4-[1-[2-[2-[4-(6-fluoro-4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]-6-methylchromen-4-one
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| Structure |
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| Formula |
C41H36FN3O7
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| Molecular Weight |
701.751
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4cc(F)ccc4o3)nn2)cc1
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| InChI |
InChI=1S/C41H36FN3O7/c1-27-5-15-38-34(22-27)36(46)24-40(51-38)28-6-11-32(12-7-28)49-18-3-2-4-31-26-45(44-43-31)17-19-48-20-21-50-33-13-8-29(9-14-33)41-25-37(47)35-23-30(42)10-16-39(35)52-41/h5-16,22-26H,2-4,17-21H2,1H3
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| InChIKey |
PILXOFXFXWCCHT-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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