General Information of the Compound
| Compound ID |
CP0237899
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| Compound Name |
N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
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| Structure |
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| Formula |
C24H32N4O4S
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| Molecular Weight |
472.611
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| Canonical SMILES |
CCS(=O)(=O)Nc1ccc(OC2CCC(CC2)N(C)C)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
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| InChI |
InChI=1S/C24H32N4O4S/c1-5-33(30,31)26-16-6-11-22(32-18-9-7-17(8-10-18)27(2)3)20(14-16)21-15-28(4)24(29)23-19(21)12-13-25-23/h6,11-15,17-18,25-26H,5,7-10H2,1-4H3
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| InChIKey |
MARMRSHIUNWBGM-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 = 86 nM
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