General Information of the Compound
| Compound ID |
CP0450821
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| Compound Name |
ethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate
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| Synonyms |
1416153-62-2
AKOS027470306
CS-0021352
Ethyl 5-[[[[3'-(Methylsulfonyl)[1,1'-biphenyl]-4-yl]methyl][(2,4,6-trimethylphenyl)sulfonyl]amino]methyl]-2-furancarboxylate
GTPL8692
HY-101442
MolPort-042-624-584
SCHEMBL15773678
SR 9238
SR9238
ZINC145690538
ethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate
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| Structure |
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| Formula |
C31H33NO7S2
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| Molecular Weight |
595.739
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| Canonical SMILES |
CCOC(=O)c1ccc(CN(Cc2ccc(cc2)-c2cccc(c2)S(C)(=O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)o1
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| InChI |
InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3
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| InChIKey |
HDZWHJYZJWLTAG-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
Clinical Information about the Compound