General Information of the Compound
| Compound ID |
CP0440462
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| Compound Name |
2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-2-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]propanamide
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| Structure |
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| Formula |
C26H26F3N3O4S
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| Molecular Weight |
533.572
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cc(ccn2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H26F3N3O4S/c1-4-37(35,36)21-11-5-17(6-12-21)15-23(33)31-20-9-7-18(8-10-20)25(2,3)24(34)32-22-16-19(13-14-30-22)26(27,28)29/h5-14,16H,4,15H2,1-3H3,(H,31,33)(H,30,32,34)
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| InChIKey |
JYILEEZLFMGOKQ-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: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT05439, Nuclear receptor ROR-gamma