General Information of the Compound
| Compound ID |
CP0439790
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| Compound Name |
biarylether amide quinoline, 4b
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| Structure |
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| Formula |
C33H27F3N2O2
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| Molecular Weight |
540.585
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| Canonical SMILES |
CCCNC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
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| InChI |
InChI=1S/C33H27F3N2O2/c1-2-17-37-32(39)24-12-7-14-27(20-24)40-26-13-6-11-23(19-26)30-25(18-22-9-4-3-5-10-22)21-38-31-28(30)15-8-16-29(31)33(34,35)36/h3-16,19-21H,2,17-18H2,1H3,(H,37,39)
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| InChIKey |
AJAGFKNPKFWBMC-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta