General Information of the Compound
| Compound ID |
CP0249607
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| Compound Name |
4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-(3-(dimethylamino)propyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H25N5O2S2
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| Molecular Weight |
443.598
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| Canonical SMILES |
CN(C)CCCNS(=O)(=O)c1ccc(Nc2ncc3CCc4sccc4-c3n2)cc1
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| InChI |
InChI=1S/C21H25N5O2S2/c1-26(2)12-3-11-23-30(27,28)17-7-5-16(6-8-17)24-21-22-14-15-4-9-19-18(10-13-29-19)20(15)25-21/h5-8,10,13-14,23H,3-4,9,11-12H2,1-2H3,(H,22,24,25)
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| InChIKey |
QXKCVFCSUZQYJJ-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 = 1100 nM
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TI
LI
LO
TS
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