General Information of the Compound
| Compound ID |
CP0405491
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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]-6-methylchromen-4-one
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| Structure |
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| Formula |
C42H38FN3O8
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| Molecular Weight |
731.777
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCOc3ccc(cc3)-c3cc(=O)c4ccc(F)cc4o3)nn2)cc1
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| InChI |
InChI=1S/C42H38FN3O8/c1-28-4-15-39-36(23-28)38(48)26-40(53-39)29-7-12-34(13-8-29)52-22-21-50-20-19-49-18-16-46-27-32(44-45-46)3-2-17-51-33-10-5-30(6-11-33)41-25-37(47)35-14-9-31(43)24-42(35)54-41/h4-15,23-27H,2-3,16-22H2,1H3
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| InChIKey |
JFTBOWJBXHUWIT-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