General Information of the Compound
| Compound ID |
CP0335218
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| Compound Name |
4-(2-ethoxy-5-ethylsulfonylphenyl)-2-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-1-one
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| Structure |
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| Formula |
C24H25N3O4S
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| Molecular Weight |
451.548
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| Canonical SMILES |
CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC
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| InChI |
InChI=1S/C24H25N3O4S/c1-5-31-23-10-8-18(32(29,30)6-2)12-21(23)22-15-26(3)24(28)19-9-7-16(11-20(19)22)17-13-25-27(4)14-17/h7-15H,5-6H2,1-4H3
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| InChIKey |
XRQXPDFUZRIANE-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 | |
| CL000174 | Raji | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2 nM
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