General Information of the Compound
| Compound ID |
CP0394425
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| Compound Name |
2-[4-[2-[2-[4-[4-(4-oxo-2-phenylchromen-7-yl)oxybutyl]triazol-1-yl]ethoxy]ethoxy]phenyl]-3-phenylmethoxychromen-4-one
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| Structure |
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| Formula |
C47H41N3O8
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| Molecular Weight |
775.858
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| Canonical SMILES |
O=c1cc(oc2cc(OCCCCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C47H41N3O8/c51-41-30-43(34-13-5-2-6-14-34)57-44-29-38(22-23-39(41)44)54-25-10-9-15-36-31-50(49-48-36)24-26-53-27-28-55-37-20-18-35(19-21-37)46-47(56-32-33-11-3-1-4-12-33)45(52)40-16-7-8-17-42(40)58-46/h1-8,11-14,16-23,29-31H,9-10,15,24-28,32H2
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| InChIKey |
UJKKGSFKWZFKAY-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