General Information of the Compound
| Compound ID |
CP0116135
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| Compound Name |
N-(4-cyanopyridin-2-yl)-2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-2-fluorophenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C26H25FN4O4S
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| Molecular Weight |
508.575
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2cc(ccn2)C#N)cc1
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| InChI |
InChI=1S/C26H25FN4O4S/c1-4-36(34,35)20-8-5-17(6-9-20)14-24(32)30-19-7-10-21(22(27)15-19)26(2,3)25(33)31-23-13-18(16-28)11-12-29-23/h5-13,15H,4,14H2,1-3H3,(H,30,32)(H,29,31,33)
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| InChIKey |
DUHFUKXNEHGMID-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: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT05439, Nuclear receptor ROR-gamma
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta