General Information of the Compound
| Compound ID |
CP0548979
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| Compound Name |
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanesulfonamide
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| Structure |
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| Formula |
C22H28N4O4S
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| Molecular Weight |
444.557
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| Canonical SMILES |
CCS(=O)(=O)Nc1ccc(OC2CCN(C)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
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| InChI |
InChI=1S/C22H28N4O4S/c1-4-31(28,29)24-15-5-6-20(30-16-8-11-25(2)12-9-16)18(13-15)19-14-26(3)22(27)21-17(19)7-10-23-21/h5-7,10,13-14,16,23-24H,4,8-9,11-12H2,1-3H3
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| InChIKey |
NHCVIZRMAINXCM-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 = 210 nM
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