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604-95-5 | 9,10-Phenanthrenedione, 2-nitro-
CAS No: 604-95-5 Catalog No: AG00IAP0 MDL No:
Product Description
Catalog Number:
AG00IAP0
Chemical Name:
9,10-Phenanthrenedione, 2-nitro-
CAS Number:
604-95-5
IUPAC Name:
2-nitrophenanthrene-9,10-dione
InChI:
InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H
InChI Key:
KNAXWOBOCVVMST-UHFFFAOYSA-N
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.213g/mol
Monoisotopic Mass:
253.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Structure-based virtual screening and biological evaluation of Mycobacterium tuberculosis adenosine 5'-phosphosulfate reductase inhibitors. | Journal of medicinal chemistry 20081113 |
| Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. | Journal of medicinal chemistry 20071115 |
| Catalytic inactivation of protein tyrosine phosphatase CD45 and protein tyrosine phosphatase 1B by polyaromatic quinones. | Biochemistry 20040413 |
| Potent reversible inhibitors of the protein tyrosine phosphatase CD45. | Journal of medicinal chemistry 20010524 |
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