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Ccg215022

CAS No.:
1813527-81-9
Catalog Number:
AG00ABR7
Molecular Formula:
C26H22FN7O3
Molecular Weight:
499.4964
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$290
- +
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00ABR7
Chemical Name:
Ccg215022
CAS Number:
1813527-81-9
Molecular Formula:
C26H22FN7O3
Molecular Weight:
499.4964
MDL Number:
MFCD30489722
IUPAC Name:
4-[4-fluoro-3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
InChI:
InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
InChI Key:
BLMBNKDQXGINRE-UHFFFAOYSA-N
SMILES:
O=C1NC(=C(C(N1)c1ccc(c(c1)C(=O)NCc1ccccn1)F)C(=O)Nc1ccc2c(c1)cn[nH]2)C
Properties
Complexity:
915  
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:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
499.506g/mol
Monoisotopic Mass:
499.177g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Crystal Structure of G Protein-coupled Receptor Kinase 5 in Complex with a Rationally Designed Inhibitor. The Journal of biological chemistry 20150821
Properties