General Information of the Compound
| Compound ID |
CP0340722
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| Compound Name |
4-[2-(2-aminoethoxy)-5-ethylsulfonylphenyl]- 2-methyl-6-(1-methylpyrazol-4-yl) isoquinolin-1-one
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| Structure |
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| Formula |
C24H26N4O4S
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| Molecular Weight |
466.563
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(OCCN)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C24H26N4O4S/c1-4-33(30,31)18-6-8-23(32-10-9-25)21(12-18)22-15-27(2)24(29)19-7-5-16(11-20(19)22)17-13-26-28(3)14-17/h5-8,11-15H,4,9-10,25H2,1-3H3
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| InChIKey |
HQPMXTPTZYPYAH-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 = 11000 nM
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