General Information of the Compound
| Compound ID |
CP0426791
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| Compound Name |
7-[4-[1-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]ethyl]triazol-4-yl]butoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C40H35N3O7
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| Molecular Weight |
669.734
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| Canonical SMILES |
O=c1cc(oc2cc(OCCCCc3cn(CCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C40H35N3O7/c44-35-25-37(28-9-3-1-4-10-28)49-39-23-31(14-16-33(35)39)47-19-8-7-13-30-27-43(42-41-30)18-20-46-21-22-48-32-15-17-34-36(45)26-38(50-40(34)24-32)29-11-5-2-6-12-29/h1-6,9-12,14-17,23-27H,7-8,13,18-22H2
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| InChIKey |
DLQHBQVMDBQBMU-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