General Information of the Compound
| Compound ID |
CP0442653
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| Compound Name |
5-(1,3-benzodioxol-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C30H34F6N2O6
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| Molecular Weight |
632.598
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| Canonical SMILES |
CCCc1cc(cc(CCC)c1OCCCCN1C(=O)NC(C)(C1=O)c1ccc2OCOc2c1)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C30H34F6N2O6/c1-4-8-18-14-21(28(41,29(31,32)33)30(34,35)36)15-19(9-5-2)24(18)42-13-7-6-12-38-25(39)27(3,37-26(38)40)20-10-11-22-23(16-20)44-17-43-22/h10-11,14-16,41H,4-9,12-13,17H2,1-3H3,(H,37,40)
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| InChIKey |
VWGTWONEZRKZRQ-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