General Information of the Compound
| Compound ID |
CP0392216
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| Compound Name |
7-[2-[2-[4-[3-[4-(7-fluoro-4-oxochromen-2-yl)phenoxy]propyl]triazol-1-yl]ethoxy]ethoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C39H32FN3O7
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| Molecular Weight |
673.697
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| Canonical SMILES |
Fc1ccc2c(c1)oc(cc2=O)-c1ccc(OCCCc2cn(CCOCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C39H32FN3O7/c40-28-10-14-32-34(44)24-37(49-38(32)21-28)27-8-11-30(12-9-27)47-17-4-7-29-25-43(42-41-29)16-18-46-19-20-48-31-13-15-33-35(45)23-36(50-39(33)22-31)26-5-2-1-3-6-26/h1-3,5-6,8-15,21-25H,4,7,16-20H2
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| InChIKey |
YGWJMGQTQWNJDQ-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