General Information of the Compound
| Compound ID |
CP0450612
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| Compound Name |
2-[3-[4-[[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]acetic acid
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| Structure |
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| Formula |
C27H25F3O6
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| Molecular Weight |
502.485
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| Canonical SMILES |
CC(C)(C)OC(=O)c1c(O)c(ccc1COc1ccc(cc1)-c1cccc(CC(O)=O)c1)C(F)(F)F
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| InChI |
InChI=1S/C27H25F3O6/c1-26(2,3)36-25(34)23-19(9-12-21(24(23)33)27(28,29)30)15-35-20-10-7-17(8-11-20)18-6-4-5-16(13-18)14-22(31)32/h4-13,33H,14-15H2,1-3H3,(H,31,32)
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| InChIKey |
UNORXFZZRFAMMK-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