General Information of the Compound
| Compound ID |
CP0866853
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| Compound Name |
5-(4-Ethoxyphenyl)-3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-n-propylphenoxy)butyl)-5-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C28H32F6N2O5
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| Molecular Weight |
590.561
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| Canonical SMILES |
CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(OCC)cc2)C1=O
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| InChI |
InChI=1S/C28H32F6N2O5/c1-4-8-18-17-20(26(39,27(29,30)31)28(32,33)34)11-14-22(18)41-16-7-6-15-36-23(37)25(3,35-24(36)38)19-9-12-21(13-10-19)40-5-2/h9-14,17,39H,4-8,15-16H2,1-3H3,(H,35,38)
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| InChIKey |
PKAUYFNCUWSGKT-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