General Information of the Compound
| Compound ID |
CP0356979
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| Compound Name |
5-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-2-methyl-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C19H16F2N2O4S
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| Molecular Weight |
406.41
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| Canonical SMILES |
Cc1[nH]c(cc1C(N)=O)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C19H16F2N2O4S/c1-10-13(19(22)24)9-16(23-10)14-8-12(28(2,25)26)4-6-17(14)27-18-5-3-11(20)7-15(18)21/h3-9,23H,1-2H3,(H2,22,24)
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| InChIKey |
HEBJGQDORMSDGL-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 = 3200 nM
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