General Information of the Compound
| Compound ID |
CP0002237
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| Compound Name |
2-[2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
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| Structure |
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| Formula |
C25H23ClN2O3S
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| Molecular Weight |
466.99
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| Canonical SMILES |
CC(C)(O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H23ClN2O3S/c1-25(2,29)23-16-28(24(27-23)21-9-4-5-10-22(21)26)19-13-11-17(12-14-19)18-7-6-8-20(15-18)32(3,30)31/h4-16,29H,1-3H3
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| InChIKey |
JDYKELQKNHNOIN-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