General Information of the Compound
| Compound ID |
CP0566085
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| Compound Name |
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-[2-(trifluoromethyl)phenoxy]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C22H18F3N3O4S
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| Molecular Weight |
477.464
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| Canonical SMILES |
Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2C(F)(F)F)c2cc[nH]c2c1=O
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| InChI |
InChI=1S/C22H18F3N3O4S/c1-28-12-16(14-9-10-26-20(14)21(28)29)15-11-13(27-33(2,30)31)7-8-18(15)32-19-6-4-3-5-17(19)22(23,24)25/h3-12,26-27H,1-2H3
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| InChIKey |
LLNZXYDRSQLCBK-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: PT01462, Bromodomain-containing protein 4
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000183 | MX-1 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 83 nM
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