General Information of the Compound
| Compound ID |
CP0071106
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| Compound Name |
N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C22H19N5O3S2
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| Molecular Weight |
465.56
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(NC(=O)Cc3cccs3)cc2)cc1
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| InChI |
InChI=1S/C22H19N5O3S2/c23-32(29,30)19-9-7-17(8-10-19)26-22-24-12-11-20(27-22)15-3-5-16(6-4-15)25-21(28)14-18-2-1-13-31-18/h1-13H,14H2,(H,25,28)(H2,23,29,30)(H,24,26,27)
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| InChIKey |
MZUCCTLUJWKQJY-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: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000323 | LoVo | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 250 nM
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TI
LI
LO
TS
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