General Information of the Compound
| Compound ID |
CP0392218
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| Compound Name |
2-[4-[3-[1-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]chromen-4-one
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| Structure |
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| Formula |
C39H33N3O7
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| Molecular Weight |
655.707
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| Canonical SMILES |
O=c1cc(oc2ccccc12)-c1ccc(OCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1
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| InChI |
InChI=1S/C39H33N3O7/c43-34-24-38(48-36-9-3-1-7-32(34)36)27-11-15-30(16-12-27)46-20-5-6-29-26-42(41-40-29)19-21-45-22-23-47-31-17-13-28(14-18-31)39-25-35(44)33-8-2-4-10-37(33)49-39/h1-4,7-18,24-26H,5-6,19-23H2
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| InChIKey |
IXXXMEHKVQSRGJ-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
Protein ID: PT02516, Multidrug resistance-associated protein 1