General Information of the Compound
| Compound ID |
CP0472317
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| Compound Name |
3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C34H34F6N2O7
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| Molecular Weight |
696.641
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| Canonical SMILES |
CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cc2)c(OC)c1)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C34H34F6N2O7/c1-6-7-20-16-22(32(46,33(35,36)37)34(38,39)40)10-15-27(20)49-24-13-14-25(28(17-24)47-5)26(43)18-42-29(44)31(4,41-30(42)45)21-8-11-23(12-9-21)48-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45)
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| InChIKey |
VIBZMEWMIKJKPT-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