General Information of the Compound
| Compound ID |
CP0458306
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| Compound Name |
7-[3-[1-[2-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]ethoxy]ethyl]triazol-4-yl]propoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C41H37N3O8
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| Molecular Weight |
699.76
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| Canonical SMILES |
O=c1cc(oc2cc(OCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C41H37N3O8/c45-36-26-38(29-8-3-1-4-9-29)51-40-24-32(13-15-34(36)40)49-18-7-12-31-28-44(43-42-31)17-19-47-20-21-48-22-23-50-33-14-16-35-37(46)27-39(52-41(35)25-33)30-10-5-2-6-11-30/h1-6,8-11,13-16,24-28H,7,12,17-23H2
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| InChIKey |
JFQGPWJJYPFSFY-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