General Information of the Compound
| Compound ID |
CP0191161
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| Compound Name |
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]imidazole-4-sulfonamide
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| Structure |
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| Formula |
C25H23ClFN3O4S2
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| Molecular Weight |
548.061
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1c(F)cccc1Cl
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| InChI |
InChI=1S/C25H23ClFN3O4S2/c1-29-16-25(28-17-29)36(33,34)30(15-22-23(26)7-4-8-24(22)27)14-18-9-11-19(12-10-18)20-5-3-6-21(13-20)35(2,31)32/h3-13,16-17H,14-15H2,1-2H3
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| InChIKey |
AYVVQXQFVKEXMX-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