General Information of the Compound
| Compound ID |
CP0451999
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| Compound Name |
3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]but-2-ynyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C32H36F6N2O5
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| Molecular Weight |
642.637
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| Canonical SMILES |
CCCc1cc(cc(CCC)c1OCC#CCN1C(=O)NC(C)(C1=O)c1ccc(OC(C)C)cc1)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C32H36F6N2O5/c1-6-10-21-18-24(30(43,31(33,34)35)32(36,37)38)19-22(11-7-2)26(21)44-17-9-8-16-40-27(41)29(5,39-28(40)42)23-12-14-25(15-13-23)45-20(3)4/h12-15,18-20,43H,6-7,10-11,16-17H2,1-5H3,(H,39,42)
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| InChIKey |
QVKMDRUNJHXGND-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