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62749-26-2 | (N-(1,6-Dihydro-6-oxo-(3,4’-bipyridine)-5-carbonitrile)
CAS No: 62749-26-2 Catalog No: AG01E4W9 MDL No:
Product Description
Catalog Number:
AG01E4W9
Chemical Name:
(N-(1,6-Dihydro-6-oxo-(3,4’-bipyridine)-5-carbonitrile)
CAS Number:
62749-26-2
IUPAC Name:
2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C11H7N3O/c12-6-9-5-10(7-14-11(9)15)8-1-3-13-4-2-8/h1-5,7H,(H,14,15)
InChI Key:
SEQOYYYZFNJQSV-UHFFFAOYSA-N
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.197g/mol
Monoisotopic Mass:
197.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Discovery of novel class 1 phosphatidylinositide 3-kinases (PI3K) fragment inhibitors through structure-based virtual screening. | Bioorganic & medicinal chemistry letters 20110115 |
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