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About This Item
CAS Number:
NACRES:
NA.26
PubChem Substance ID:
UNSPSC Code:
12352202
MDL number:
Quality level:
storage temp.
2-8°C
Quality Level
SMILES string
Cl.NC(=N)c1ccccc1
InChI
1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H
InChI key
LZCZIHQBSCVGRD-UHFFFAOYSA-N
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
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Janet Newman et al.
Journal of computer-aided molecular design, 26(5), 497-503 (2011-12-22)
Part of the latest SAMPL challenge was to predict how a small fragment library of 500 commercially available compounds would bind to a protein target. In order to assess the modellers' work, a reasonably comprehensive set of data was collected
Dhanashri Bagal et al.
Analytical chemistry, 81(18), 7801-7806 (2009-09-15)
The use of gas phase additives to stabilize noncovalent protein complexes in electrospray ionization mass spectrometry (ES-MS) is demonstrated for two protein-ligand interactions, an enzyme-small molecule inhibitor complex, and a protein-disaccharide complex. It is shown that the introduction of gas
Amy Capes et al.
Bioorganic & medicinal chemistry, 20(4), 1607-1615 (2012-01-24)
Quinols have been developed as a class of potential anti-cancer compounds. They are thought to act as double Michael acceptors, forming two covalent bonds to their target protein(s). Quinols have also been shown to have activity against the parasite Trypanosoma
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 8530950025 | 04027269099893 |
| 483818-1G | 04061826672327 |
| 483818-5G | 04061833330661 |
| 63226-1ML-F | 04061838063182 |