General Information of the Compound
| Compound ID |
CP0392720
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| Compound Name |
2-[4-[2-[2-[2-[4-[3-[4-(7-fluoro-4-oxochromen-2-yl)phenoxy]propyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-3-phenylmethoxychromen-4-one
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| Structure |
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| Formula |
C48H42FN3O9
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| Molecular Weight |
823.874
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| Canonical SMILES |
Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3oc4ccccc4c(=O)c3OCc3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C48H42FN3O9/c49-36-16-21-40-42(53)30-44(60-45(40)29-36)34-12-17-38(18-13-34)57-23-6-9-37-31-52(51-50-37)22-24-55-25-26-56-27-28-58-39-19-14-35(15-20-39)47-48(59-32-33-7-2-1-3-8-33)46(54)41-10-4-5-11-43(41)61-47/h1-5,7-8,10-21,29-31H,6,9,22-28,32H2
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| InChIKey |
RXBKGGVFTVIBRI-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