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Ccg-63808

CAS No.:
620113-73-7
Catalog Number:
AG00ECD8
Molecular Formula:
C25H15FN4O2S
Molecular Weight:
454.4756
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
97%
1 week
United States
$332
- +
50mg
97%
1 week
United States
$515
- +
Product Description
Catalog Number:
AG00ECD8
Chemical Name:
Ccg-63808
CAS Number:
620113-73-7
Molecular Formula:
C25H15FN4O2S
Molecular Weight:
454.4756
MDL Number:
MFCD04167973
IUPAC Name:
(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
InChI:
InChI=1S/C25H15FN4O2S/c1-15-5-4-12-30-22(15)29-23(32-18-10-8-17(26)9-11-18)19(25(30)31)13-16(14-27)24-28-20-6-2-3-7-21(20)33-24/h2-13H,1H3/b16-13+
InChI Key:
IPZHFKHGSYRBNT-DTQAZKPQSA-N
SMILES:
N#C/C(=C\c1c(Oc2ccc(cc2)F)nc2n(c1=O)cccc2C)/c1nc2c(s1)cccc2
UNII:
SAU68994A6
Properties
Complexity:
1030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
454.09g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.479g/mol
Monoisotopic Mass:
454.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Reversible, allosteric small-molecule inhibitors of regulator of G protein signaling proteins. Molecular pharmacology 20100901
Properties