General Information of the Compound
| Compound ID |
CP0392719
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| Compound Name |
6-methyl-2-[4-[2-[2-[2-[4-[3-(4-oxo-2-phenylchromen-7-yl)oxypropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
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| Structure |
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| Formula |
C42H39N3O8
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| Molecular Weight |
713.787
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C42H39N3O8/c1-29-9-16-39-36(24-29)38(47)27-41(52-39)31-10-12-33(13-11-31)51-23-22-49-21-20-48-19-17-45-28-32(43-44-45)8-5-18-50-34-14-15-35-37(46)26-40(53-42(35)25-34)30-6-3-2-4-7-30/h2-4,6-7,9-16,24-28H,5,8,17-23H2,1H3
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| InChIKey |
ALZRQUKSAAAXFT-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