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CNX-774

CAS No.:
1202759-32-7
Catalog Number:
AG008TF2
Molecular Formula:
C26H22FN7O3
Molecular Weight:
499.4964
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$96
- +
5mg
≥98%
1 week
United States
$193
- +
10mg
99%
1 week
United States
$279
- +
25mg
99%
1 week
United States
$473
- +
50mg
99%
1 week
United States
$751
- +
100mg
99%
1 week
United States
$1237
- +
Product Description
Catalog Number:
AG008TF2
Chemical Name:
CNX-774
CAS Number:
1202759-32-7
Molecular Formula:
C26H22FN7O3
Molecular Weight:
499.4964
MDL Number:
MFCD26405992
IUPAC Name:
4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
InChI:
InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)
InChI Key:
VVLHQJDAUIPZFH-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1F)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC
Properties
Complexity:
767  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.177g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
499.506g/mol
Monoisotopic Mass:
499.177g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Irreversible protein kinase inhibitors: balancing the benefits and risks. Journal of medicinal chemistry 20120726
Properties