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CPD26

CAT: 0013-GTR19210665-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210665-01Size:25 mg
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Description
CPD26 is a novel small-molecule inhibitor of SARS-CoV-2 that functions by binding outside the receptor-binding domain (RBD) to lock the spike protein in an inactive conformation, preventing viral entry. This mechanism makes it a valuable tool for in vitro studies of spike protein dynamics and for research into broad-spectrum antiviral strategies targeting coronavirus fusion.
CAS Number
438228-64-9
Smiles
C (O) (=O) C1=CC (C23CC4CC (C2) CC (C3) C4) =NC5=C1C=C (C) C=C5
Molecular Formula
C21H23NO2
Molecular Weight
321.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Adamantanyl-6-methylquinoline-4-carboxylic acid
CAS Number438228-64-9
PubChem CID3423619
IUPAC Name2-(1-adamantyl)-6-methylquinoline-4-carboxylic acid
Molecular FormulaC21H23NO2
Molecular Weight321.4
XLogP5
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity489
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C21H23NO2/c1-12-2-3-18-16(4-12)17(20(23)24)8-19(22-18)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-11H2,1H3,(H,23,24)
InChIKey
NDZJPFUIKBRVNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Adamantanyl-6-methylquinoline-4-carboxylic acid
CAS: 438228-64-9
CID: 3423619
Formula: C21H23NO2
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass321.172878976
Monoisotopic Mass321.172878976
Topological Polar Surface Area50.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity489
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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