General Information of the Compound
| Compound ID |
CP0380546
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| Compound Name |
3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C27H27F9N2O4
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| Molecular Weight |
614.505
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| Canonical SMILES |
CCCc1cc(ccc1OCCCCN1C(=O)NC(C)(C1=O)c1ccc(cc1)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H27F9N2O4/c1-3-6-16-15-19(24(41,26(31,32)33)27(34,35)36)11-12-20(16)42-14-5-4-13-38-21(39)23(2,37-22(38)40)17-7-9-18(10-8-17)25(28,29)30/h7-12,15,41H,3-6,13-14H2,1-2H3,(H,37,40)
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| InChIKey |
JAPREEGNPQOVJF-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