General Information of the Compound
| Compound ID |
CP0852592
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| Compound Name |
5-(Benzo[d][1,3]dioxol-5-yl)-5-ethyl-3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)-2,6-di-n-propylphenoxy)butyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C31H36F6N2O6
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| Molecular Weight |
646.625
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| Canonical SMILES |
CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(CC)(c2ccc3c(c2)OCO3)C1=O
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| InChI |
InChI=1S/C31H36F6N2O6/c1-4-9-19-15-22(29(42,30(32,33)34)31(35,36)37)16-20(10-5-2)25(19)43-14-8-7-13-39-26(40)28(6-3,38-27(39)41)21-11-12-23-24(17-21)45-18-44-23/h11-12,15-17,42H,4-10,13-14,18H2,1-3H3,(H,38,41)
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| InChIKey |
QSFACCGBZLHVFJ-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