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CQ211

CAT: 0957-E1788-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0957-E1788-1gSize:1 g
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CAS Number
2648986-65-4
Target
Others
Applications
Others
Molecular Formula
C26H22F3N7O2
Additionnal Information
CQ211 is a cell penetrant, potent and selective inhibitor of RIOK2 (Right open reading frame kinase 2) with a Kd of 6.1 nM. It effectively inhibits cancer cell proliferation and shows promising in vivo efficacy in mouse xenograft models.

Chemical Information

8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro-4H-[1,2,3]triazolo[4,5-c]quinolin-4-one
CAS Number2648986-65-4
PubChem CID163408925
IUPAC Name8-(6-methoxy-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-triazolo[4,5-c]quinolin-4-one
Molecular FormulaC26H22F3N7O2
Molecular Weight521.5
XLogP3.5
Topological Polar Surface Area97.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity844
SMILES
COC1=NC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4=C3N(N=N4)C5=CC(=C(C=C5)N6CCNCC6)C(F)(F)F
InChI
InChI=1S/C26H22F3N7O2/c1-38-22-7-3-16(14-31-22)15-2-5-20-18(12-15)24-23(25(37)32-20)33-34-36(24)17-4-6-21(19(13-17)26(27,28)29)35-10-8-30-9-11-35/h2-7,12-14,30H,8-11H2,1H3,(H,32,37)
InChIKey
RGHLRMNPUGUZEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro-4H-[1,2,3]triazolo[4,5-c]quinolin-4-one
CAS: 2648986-65-4
CID: 163408925
Formula: C26H22F3N7O2
MW: 521.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass521.17870746
Monoisotopic Mass521.17870746
Topological Polar Surface Area97.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity844
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T63642-01CQ211

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