General Information of the Compound
| Compound ID |
CP0926569
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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-(4-isopropylphenyl)-5-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C29H34F6N2O4
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| Molecular Weight |
588.589
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| Canonical SMILES |
CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O
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| InChI |
InChI=1S/C29H34F6N2O4/c1-5-8-20-17-22(27(40,28(30,31)32)29(33,34)35)13-14-23(20)41-16-7-6-15-37-24(38)26(4,36-25(37)39)21-11-9-19(10-12-21)18(2)3/h9-14,17-18,40H,5-8,15-16H2,1-4H3,(H,36,39)
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| InChIKey |
CQYKJVUODCCUQT-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