General Information of the Compound
| Compound ID |
CP0910641
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| Compound Name |
3-(4-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2,6-di-n-propylphenoxy)-butyl)-5-(4-isopropylphenyl)-5-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C32H40F6N2O4
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| Molecular Weight |
630.67
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| Canonical SMILES |
CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O
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| InChI |
InChI=1S/C32H40F6N2O4/c1-6-10-22-18-25(30(43,31(33,34)35)32(36,37)38)19-23(11-7-2)26(22)44-17-9-8-16-40-27(41)29(5,39-28(40)42)24-14-12-21(13-15-24)20(3)4/h12-15,18-20,43H,6-11,16-17H2,1-5H3,(H,39,42)
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| InChIKey |
WFUKSWRXHHZJPS-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