General Information of the Compound
| Compound ID |
CP0848568
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| Compound Name |
3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-n-propylphenoxy)butyl)-1,5,5-trimethylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C22H28F6N2O4
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| Molecular Weight |
498.464
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| Canonical SMILES |
CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)N(C)C(C)(C)C1=O
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| InChI |
InChI=1S/C22H28F6N2O4/c1-5-8-14-13-15(20(33,21(23,24)25)22(26,27)28)9-10-16(14)34-12-7-6-11-30-17(31)19(2,3)29(4)18(30)32/h9-10,13,33H,5-8,11-12H2,1-4H3
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| InChIKey |
DNINFVCYBLXEAC-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