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211096-49-0 | Urea, N-(2-bromophenyl)-N'-(4-cyano-1H-benzotriazol-7-yl)-
CAS No: 211096-49-0 Catalog No: AG002L5G MDL No:
Product Description
Catalog Number:
AG002L5G
Chemical Name:
Urea, N-(2-bromophenyl)-N'-(4-cyano-1H-benzotriazol-7-yl)-
CAS Number:
211096-49-0
Molecular Formula:
C14H9BrN6O
Molecular Weight:
357.1649
IUPAC Name:
1-(2-bromophenyl)-3-(7-cyano-2H-benzotriazol-4-yl)urea
InChI:
InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)
InChI Key:
SEDUMQWZEOMXSO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1nn[nH]2)NC(=O)Nc1ccccc1Br
UNII:
9P785F0579
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.002g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
357.171g/mol
Monoisotopic Mass:
356.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Genetic and Pharmacologic Inhibition of the Chemokine Receptor CXCR2 Prevents Experimental Hypertension and Vascular Dysfunction. | Circulation 20161101 |
| Identification of potent Yes1 kinase inhibitors using a library screening approach. | Bioorganic & medicinal chemistry letters 20130801 |
| Identification of a novel allosteric binding site in the CXCR2 chemokine receptor. | Molecular pharmacology 20111201 |
| The hepatitis C virus core protein indirectly induces alpha-smooth muscle actin expression in hepatic stellate cells via interleukin-8. | Journal of hepatology 20100501 |
| A common intracellular allosteric binding site for antagonists of the CXCR2 receptor. | British journal of pharmacology 20100401 |
| SB265610 is an allosteric, inverse agonist at the human CXCR2 receptor. | British journal of pharmacology 20090901 |
| Nicotinanilides as inhibitors of neutrophil chemotaxis. | Bioorganic & medicinal chemistry letters 20020603 |
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