General Information of the Compound
| Compound ID |
CP0866862
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| Compound Name |
3-(4-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-n-propylphenoxy)butyl)-5-methyl-5-phenylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C26H28F6N2O4
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| Molecular Weight |
546.508
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| Canonical SMILES |
CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccccc2)C1=O
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| InChI |
InChI=1S/C26H28F6N2O4/c1-3-9-17-16-19(24(37,25(27,28)29)26(30,31)32)12-13-20(17)38-15-8-7-14-34-21(35)23(2,33-22(34)36)18-10-5-4-6-11-18/h4-6,10-13,16,37H,3,7-9,14-15H2,1-2H3,(H,33,36)
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| InChIKey |
HVYCXKDTGCMRAO-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