General Information of the Compound
| Compound ID |
CP0476163
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| Compound Name |
7-[4-[1-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butoxy]-2-phenylchromen-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 |
O=c1cc(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C42H39N3O8/c46-37-27-41(52-39-12-5-4-11-35(37)39)31-13-15-33(16-14-31)51-25-24-49-23-22-48-21-19-45-29-32(43-44-45)10-6-7-20-50-34-17-18-36-38(47)28-40(53-42(36)26-34)30-8-2-1-3-9-30/h1-5,8-9,11-18,26-29H,6-7,10,19-25H2
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| InChIKey |
XZTZKZMMCGMGPL-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