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CBS1194

CAT: 0013-GTR19211635-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211635-03Size:100 mg
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Description
CBS1194 is a novel group 2 influenza A virus fusion inhibitor that blocks viral entry by sterically hindering the low-pH-induced conformational change of hemagglutinin. It is a valuable research tool for studying viral fusion mechanisms and developing antiviral strategies in both in vitro and in vivo models.
CAS Number
901259-15-2
Smiles
N (C=1N2C (=NC1C3=CC (Br) =CC=C3) N=C (C) C=C2C) C=4C=C5C (=CC4) OCCO5
Molecular Formula
C22H19BrN4O2
Molecular Weight
451.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3-Bromophenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
CAS Number901259-15-2
PubChem CID20851727
IUPAC Name2-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
Molecular FormulaC22H19BrN4O2
Molecular Weight451.3
XLogP5.9
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity569
SMILES
CC1=CC(=NC2=NC(=C(N12)NC3=CC4=C(C=C3)OCCO4)C5=CC(=CC=C5)Br)C
InChI
InChI=1S/C22H19BrN4O2/c1-13-10-14(2)27-21(25-17-6-7-18-19(12-17)29-9-8-28-18)20(26-22(27)24-13)15-4-3-5-16(23)11-15/h3-7,10-12,25H,8-9H2,1-2H3
InChIKey
KCLAAMVCRHVUGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Bromophenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
CAS: 901259-15-2
CID: 20851727
Formula: C22H19BrN4O2
MW: 451.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.3
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass450.06914
Monoisotopic Mass450.06914
Topological Polar Surface Area60.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity569
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

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CatalogName
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