General Information of the Compound
| Compound ID |
CP0866852
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| Compound Name |
3-(4-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2,6-di-n-propylphenoxy)-butyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C30H36F6N2O5
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| Molecular Weight |
618.615
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| Canonical SMILES |
CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O
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| InChI |
InChI=1S/C30H36F6N2O5/c1-5-9-19-17-22(28(41,29(31,32)33)30(34,35)36)18-20(10-6-2)24(19)43-16-8-7-15-38-25(39)27(3,37-26(38)40)21-11-13-23(42-4)14-12-21/h11-14,17-18,41H,5-10,15-16H2,1-4H3,(H,37,40)
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| InChIKey |
DBJQILHOCMEXHJ-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