General Information of the Compound
| Compound ID |
CP0007677
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| Compound Name |
2-[2-[1-(2,6-dichlorophenyl)ethyl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
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| Structure |
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| Formula |
C28H26Cl2F2N2O4S
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| Molecular Weight |
595.495
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| Canonical SMILES |
CC(c1nc(cn1-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(C)(C)O)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H26Cl2F2N2O4S/c1-15(26-19(29)6-5-7-20(26)30)27-33-25(28(2,3)36)13-34(27)23-9-8-16(10-22(23)32)17-11-21(31)18(14-35)24(12-17)39(4,37)38/h5-13,15,35-36H,14H2,1-4H3
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| InChIKey |
OSCBEESEHIRILI-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