General Information of the Compound
| Compound ID |
CP0380542
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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-propylphenoxy]butyl]-5-propylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C29H32F6N2O6
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| Molecular Weight |
618.571
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| Canonical SMILES |
CCCc1cc(ccc1OCCCCN1C(=O)NC(CCC)(C1=O)c1ccc2OCOc2c1)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H32F6N2O6/c1-3-7-18-15-20(27(40,28(30,31)32)29(33,34)35)9-10-21(18)41-14-6-5-13-37-24(38)26(12-4-2,36-25(37)39)19-8-11-22-23(16-19)43-17-42-22/h8-11,15-16,40H,3-7,12-14,17H2,1-2H3,(H,36,39)
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| InChIKey |
GQOLSCVKNZBZPG-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