General Information of the Compound
| Compound ID |
CP0420591
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| Compound Name |
3-[[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C32H32F6N2O5
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| Molecular Weight |
638.605
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| Canonical SMILES |
CCCc1cc(ccc1Oc1cccc(CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c1)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C32H32F6N2O5/c1-5-7-21-17-23(30(43,31(33,34)35)32(36,37)38)12-15-26(21)45-25-9-6-8-20(16-25)18-40-27(41)29(4,39-28(40)42)22-10-13-24(14-11-22)44-19(2)3/h6,8-17,19,43H,5,7,18H2,1-4H3,(H,39,42)
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| InChIKey |
JMPKDJGMMZUDBG-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