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89450-91-9 | N-(2-(PHENYLAMINO)-PYRIMIDIN-4-YL)ANTHRANILIC ACID
CAS No: 89450-91-9 Catalog No: AG00448G MDL No:
Product Description
Catalog Number:
AG00448G
Chemical Name:
N-(2-(PHENYLAMINO)-PYRIMIDIN-4-YL)ANTHRANILIC ACID
CAS Number:
89450-91-9
Molecular Formula:
C17H14N4O2
Molecular Weight:
306.3187
IUPAC Name:
2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid
InChI:
InChI=1S/C17H14N4O2/c22-16(23)13-8-4-5-9-14(13)20-15-10-11-18-17(21-15)19-12-6-2-1-3-7-12/h1-11H,(H,22,23)(H2,18,19,20,21)
InChI Key:
POORMKCKTPLEDJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1ccnc(n1)Nc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.112g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.325g/mol
Monoisotopic Mass:
306.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Development of o-chlorophenyl substituted pyrimidines as exceptionally potent aurora kinase inhibitors. | Journal of medicinal chemistry 20120913 |
| Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies. | Bioorganic & medicinal chemistry letters 20070201 |
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