General Information of the Compound
| Compound ID |
CP0002236
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| Compound Name |
2-[2-[(2-chlorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
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| Structure |
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| Formula |
C26H25ClN2O3S
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| Molecular Weight |
481.017
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| Canonical SMILES |
CC(C)(O)c1cn(c(Cc2ccccc2Cl)n1)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C26H25ClN2O3S/c1-26(2,30)24-17-29(25(28-24)16-20-7-4-5-10-23(20)27)21-13-11-18(12-14-21)19-8-6-9-22(15-19)33(3,31)32/h4-15,17,30H,16H2,1-3H3
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| InChIKey |
MVEYCHUAHRZQOD-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