General Information of the Compound
| Compound ID |
CP0426329
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| Compound Name |
2-[4-[2-[2-[2-[4-[4-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]butyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-3-phenylmethoxychromen-4-one
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| Structure |
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| Formula |
C50H47N3O9
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| Molecular Weight |
833.938
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3oc4ccccc4c(=O)c3OCc3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C50H47N3O9/c1-35-14-23-46-43(31-35)44(54)32-47(61-46)37-15-19-40(20-16-37)58-25-8-7-11-39-33-53(52-51-39)24-26-56-27-28-57-29-30-59-41-21-17-38(18-22-41)49-50(60-34-36-9-3-2-4-10-36)48(55)42-12-5-6-13-45(42)62-49/h2-6,9-10,12-23,31-33H,7-8,11,24-30,34H2,1H3
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| InChIKey |
GGTRLVCBBDICME-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