General Information of the Compound
| Compound ID |
CP0258967
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| Compound Name |
N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]-2-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C24H21N5O3S2
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| Molecular Weight |
491.598
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Nc2ncc3CCc4cc(NC(=O)Cc5cccs5)ccc4-c3n2)cc1
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| InChI |
InChI=1S/C24H21N5O3S2/c25-34(31,32)20-8-5-17(6-9-20)28-24-26-14-16-4-3-15-12-18(7-10-21(15)23(16)29-24)27-22(30)13-19-2-1-11-33-19/h1-2,5-12,14H,3-4,13H2,(H,27,30)(H2,25,31,32)(H,26,28,29)
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| InChIKey |
DQNWHAFSYYXPIU-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 = 290 nM
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TI
LI
LO
TS
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