General Information of the Compound
| Compound ID |
CP0476168
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| Compound Name |
7-[4-[1-[2-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]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(oc2cc(OCCCCc3cn(CCOCCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C42H39N3O8/c46-37-27-39(30-9-3-1-4-10-30)52-41-25-33(14-16-35(37)41)50-19-8-7-13-32-29-45(44-43-32)18-20-48-21-22-49-23-24-51-34-15-17-36-38(47)28-40(53-42(36)26-34)31-11-5-2-6-12-31/h1-6,9-12,14-17,25-29H,7-8,13,18-24H2
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| InChIKey |
HXSDNANCIHFWIT-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