General Information of the Compound
| Compound ID |
CP0476154
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| Compound Name |
6-methyl-2-[4-[2-[2-[2-[4-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
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| Structure |
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| Formula |
C42H39N3O9
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| Molecular Weight |
729.786
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(COCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C42H39N3O9/c1-29-7-14-39-36(23-29)38(47)26-41(53-39)31-8-10-33(11-9-31)51-21-19-49-18-17-48-16-15-45-27-32(43-44-45)28-50-20-22-52-34-12-13-35-37(46)25-40(54-42(35)24-34)30-5-3-2-4-6-30/h2-14,23-27H,15-22,28H2,1H3
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| InChIKey |
NKKCUJKQWUCAKD-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