General Information of the Compound
| Compound ID |
CP0316313
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| Compound Name |
4-(5,6-dihydrothieno[2,3-h]quinazolin-2-ylamino)-N-(2-(dimethylamino)ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C20H23N5O2S2
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| Molecular Weight |
429.571
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| Canonical SMILES |
CN(C)CCNS(=O)(=O)c1ccc(Nc2ncc3CCc4sccc4-c3n2)cc1
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| InChI |
InChI=1S/C20H23N5O2S2/c1-25(2)11-10-22-29(26,27)16-6-4-15(5-7-16)23-20-21-13-14-3-8-18-17(9-12-28-18)19(14)24-20/h4-7,9,12-13,22H,3,8,10-11H2,1-2H3,(H,21,23,24)
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| InChIKey |
VOKVJALZAMIMIX-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 = 680 nM
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TI
LI
LO
TS
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