General Information of the Compound
| Compound ID |
CP0476165
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| Compound Name |
6-methyl-2-[4-[4-[1-[2-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]chromen-4-one
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| Structure |
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| Formula |
C43H41N3O8
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| Molecular Weight |
727.814
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C43H41N3O8/c1-30-10-17-40-37(25-30)39(48)28-42(53-40)32-11-13-34(14-12-32)51-19-6-5-9-33-29-46(45-44-33)18-20-49-21-22-50-23-24-52-35-15-16-36-38(47)27-41(54-43(36)26-35)31-7-3-2-4-8-31/h2-4,7-8,10-17,25-29H,5-6,9,18-24H2,1H3
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| InChIKey |
STLVHIWKDXQFLB-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