General Information of the Compound
| Compound ID |
CP0852595
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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-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C27H30F6N2O5
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| Molecular Weight |
576.534
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| Canonical SMILES |
CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2cccc(OC)c2)C1=O
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| InChI |
InChI=1S/C27H30F6N2O5/c1-4-8-17-15-19(25(38,26(28,29)30)27(31,32)33)11-12-21(17)40-14-6-5-13-35-22(36)24(2,34-23(35)37)18-9-7-10-20(16-18)39-3/h7,9-12,15-16,38H,4-6,8,13-14H2,1-3H3,(H,34,37)
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| InChIKey |
VDFDNLQANXTAHZ-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