General Information of the Compound
| Compound ID |
CP0438162
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| Compound Name |
7-[2-[2-[2-[4-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C41H37N3O9
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| Molecular Weight |
715.759
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| Canonical SMILES |
O=c1cc(oc2cc(OCCOCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C41H37N3O9/c45-36-25-38(29-7-3-1-4-8-29)52-40-23-32(11-13-34(36)40)50-21-19-48-18-17-47-16-15-44-27-31(42-43-44)28-49-20-22-51-33-12-14-35-37(46)26-39(53-41(35)24-33)30-9-5-2-6-10-30/h1-14,23-27H,15-22,28H2
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| InChIKey |
YZTDGFBYXAVFSO-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