General Information of the Compound
| Compound ID |
CP0000798
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| Compound Name |
2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
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| Structure |
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| Formula |
C27H25Cl2FN2O4S
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| Molecular Weight |
563.478
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| Canonical SMILES |
CC(C)(O)c1cn(c(Cc2c(Cl)cccc2Cl)n1)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C27H25Cl2FN2O4S/c1-27(2,34)25-14-32(26(31-25)13-19-21(28)5-4-6-22(19)29)18-9-7-16(8-10-18)17-11-23(30)20(15-33)24(12-17)37(3,35)36/h4-12,14,33-34H,13,15H2,1-3H3
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| InChIKey |
YIPWZEZDOVPNDU-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