General Information of the Compound
| Compound ID |
CP0392712
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| Compound Name |
7-[2-[[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]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(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C41H37N3O9/c45-36-25-40(52-38-9-5-4-8-34(36)38)30-10-12-32(13-11-30)50-22-20-48-19-18-47-17-16-44-27-31(42-43-44)28-49-21-23-51-33-14-15-35-37(46)26-39(53-41(35)24-33)29-6-2-1-3-7-29/h1-15,24-27H,16-23,28H2
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| InChIKey |
FNPWAQLBOHCEPO-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