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115687-05-3 | Methanone, (4-chlorophenyl)[4-(8-nitro-5-quinolinyl)-1-piperazinyl]-
CAS No: 115687-05-3 Catalog No: AG000GRD MDL No:
Product Description
Catalog Number:
AG000GRD
Chemical Name:
Methanone, (4-chlorophenyl)[4-(8-nitro-5-quinolinyl)-1-piperazinyl]-
CAS Number:
115687-05-3
Molecular Formula:
C20H17ClN4O3
Molecular Weight:
396.8270
IUPAC Name:
(4-chlorophenyl)-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone
InChI:
InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2
InChI Key:
KLNPVNZJCWIQSK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c2c1cccn2)[N+](=O)[O-]
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.099g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.831g/mol
Monoisotopic Mass:
396.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| B2 attenuates polyglutamine-expanded androgen receptor toxicity in cell and fly models of spinal and bulbar muscular atrophy. | Journal of neuroscience research 20100801 |
| Sirtuin 2 inhibitors rescue alpha-synuclein-mediated toxicity in models of Parkinson's disease. | Science (New York, N.Y.) 20070727 |
| Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. | The Journal of biological chemistry 20020419 |
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