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Cct196969

CAS No.:
1163719-56-9
Catalog Number:
AG0096DJ
Molecular Formula:
C27H24FN7O3
Molecular Weight:
513.5230
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$173
- +
10mg
99%
1 week
United States
$240
- +
25mg
≥95%
1 week
United States
$447
- +
50mg
99%
1 week
United States
$640
- +
100mg
99%
1 week
United States
$990
- +
Product Description
Catalog Number:
AG0096DJ
Chemical Name:
Cct196969
CAS Number:
1163719-56-9
Molecular Formula:
C27H24FN7O3
Molecular Weight:
513.5230
MDL Number:
MFCD28384201
IUPAC Name:
1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
InChI:
InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)
InChI Key:
KYYKGSDLXXKQCR-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(nn1c1ccccc1)C(C)(C)C)Nc1ccc(cc1F)Oc1ccnc2c1ncc(=O)[nH]2
Properties
Complexity:
877  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.192g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
513.533g/mol
Monoisotopic Mass:
513.192g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Paradox-breaking RAF inhibitors that also target SRC are effective in drug-resistant BRAF mutant melanoma. Cancer cell 20150112
Properties