General Information of the Compound
| Compound ID |
CP0392215
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| Compound Name |
6-methyl-2-[4-[4-[1-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]ethyl]triazol-4-yl]butoxy]phenyl]chromen-4-one
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| Structure |
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| Formula |
C41H37N3O7
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| Molecular Weight |
683.761
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C41H37N3O7/c1-28-10-17-38-35(23-28)37(46)26-40(50-38)30-11-13-32(14-12-30)48-19-6-5-9-31-27-44(43-42-31)18-20-47-21-22-49-33-15-16-34-36(45)25-39(51-41(34)24-33)29-7-3-2-4-8-29/h2-4,7-8,10-17,23-27H,5-6,9,18-22H2,1H3
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| InChIKey |
IJOIRCPQRBNWJL-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