General Information of the Compound
| Compound ID |
CP0848570
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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-(4-nitrophenyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C26H27F6N3O6
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| Molecular Weight |
591.505
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| Canonical SMILES |
CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O
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| InChI |
InChI=1S/C26H27F6N3O6/c1-3-6-16-15-18(24(38,25(27,28)29)26(30,31)32)9-12-20(16)41-14-5-4-13-34-21(36)23(2,33-22(34)37)17-7-10-19(11-8-17)35(39)40/h7-12,15,38H,3-6,13-14H2,1-2H3,(H,33,37)
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| InChIKey |
ZOVNFSBFWVNYKG-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