General Information of the Compound
| Compound ID |
CP0059780
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| Compound Name |
N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-1-phenylmethanesulfonamide
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| Structure |
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| Formula |
C23H27NO4S3
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| Molecular Weight |
477.673
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| Canonical SMILES |
CC(C)CN(Cc1ccc(s1)-c1cccc(c1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-8-5-4-6-9-19)16-21-12-13-23(29-21)20-10-7-11-22(14-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
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| InChIKey |
PDAASAKPBNZZQB-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: PT02658, Nuclear receptor ROR-alpha
Protein ID: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta