General Information of the Compound
| Compound ID |
CP0448522
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| Compound Name |
5-(1,3-benzodioxol-5-yl)-5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C28H30F6N2O6
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| Molecular Weight |
604.544
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| Canonical SMILES |
CCCc1cc(ccc1OCCCCN1C(=O)NC(CC)(C1=O)c1ccc2OCOc2c1)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H30F6N2O6/c1-3-7-17-14-19(26(39,27(29,30)31)28(32,33)34)9-10-20(17)40-13-6-5-12-36-23(37)25(4-2,35-24(36)38)18-8-11-21-22(15-18)42-16-41-21/h8-11,14-15,39H,3-7,12-13,16H2,1-2H3,(H,35,38)
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| InChIKey |
ANGMNRLPRMARHS-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