General Information of the Compound
| Compound ID |
CP0394430
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| Compound Name |
7-[2-[benzyl-[[1-[2-[2-[4-(6-fluoro-4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]ethoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C46H39FN4O7
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| Molecular Weight |
778.837
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| Canonical SMILES |
Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCn2cc(CN(CCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)Cc3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C46H39FN4O7/c47-35-13-18-43-40(25-35)42(53)28-45(57-43)34-11-14-37(15-12-34)56-24-23-54-21-20-51-31-36(48-49-51)30-50(29-32-7-3-1-4-8-32)19-22-55-38-16-17-39-41(52)27-44(58-46(39)26-38)33-9-5-2-6-10-33/h1-18,25-28,31H,19-24,29-30H2
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| InChIKey |
UCQGLPGXMPPVIB-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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