General Information of the Compound
| Compound ID |
CP0302346
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| Compound Name |
3-methyl-N-(2-(4-sulfamoylphenylamino)-5,6-dihydrobenzo[h]quinazolin-8-yl)butanamide
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| Structure |
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| Formula |
C23H25N5O3S
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| Molecular Weight |
451.552
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| Canonical SMILES |
CC(C)CC(=O)Nc1ccc-2c(CCc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc-23)c1
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| InChI |
InChI=1S/C23H25N5O3S/c1-14(2)11-21(29)26-18-7-10-20-15(12-18)3-4-16-13-25-23(28-22(16)20)27-17-5-8-19(9-6-17)32(24,30)31/h5-10,12-14H,3-4,11H2,1-2H3,(H,26,29)(H2,24,30,31)(H,25,27,28)
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| InChIKey |
MYRVUVHDIGSCCC-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 = 380 nM
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TI
LI
LO
TS
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