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509093-60-1 | 3-Nitro-N-[1-(3-hydroxypropyl)-5-(2,2-dimethylpropionyloxy)-1H-benzimidazol-2-yl]benzamide
CAS No: 509093-60-1 Catalog No: AG00DGZ3 MDL No:
Product Description
Catalog Number:
AG00DGZ3
Chemical Name:
3-Nitro-N-[1-(3-hydroxypropyl)-5-(2,2-dimethylpropionyloxy)-1H-benzimidazol-2-yl]benzamide
CAS Number:
509093-60-1
IUPAC Name:
[1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-5-yl] 2,2-dimethylpropanoate
InChI:
InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)
InChI Key:
CEAYRKIZESVQSN-UHFFFAOYSA-N
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.17g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
440.456g/mol
Monoisotopic Mass:
440.17g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Recent advances in the discovery of small molecule inhibitors of interleukin-1 receptor-associated kinase 4 (IRAK4) as a therapeutic target for inflammation and oncology disorders. | Journal of medicinal chemistry 20150108 |
| Identification of potent Yes1 kinase inhibitors using a library screening approach. | Bioorganic & medicinal chemistry letters 20130801 |
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