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Canocapavir

CAT: 1410-M35755-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M35755-02Size:2 mg
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Description
Canocapavir (ZM-H1505R) is a novel orally available HBV coat protein modulator with antiviral activity that induces conformational changes in the linker region of the HBV core protein, and can be used for the treatment of hepatitis B virus.
CAS Number
2137847-19-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
562.39
Molecular Formula
C27H21BrFN5O3
Notes
Research use only, not for human use.
Receptor
HBV

Chemical Information

Canocapavir

Canocapavir is a small molecule drug. The usage of the INN stem '-capavir' in the name indicates that Canocapavir is a viral capsid and nucleocapsid inhibitor. Canocapavir has a monoisotopic molecular weight of 561.08 Da.

CAS Number2137847-19-7
PubChem CID137477479
IUPAC Name(2R)-2-[1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one
Molecular FormulaC27H21BrFN5O3
Molecular Weight562.4
XLogP4
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity837
SMILES
C1C(=O)N([C@H](O1)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=C(C=C4)Br)CCC5=CC6=C(C=C5)NC(=O)N6
InChI
InChI=1S/C27H21BrFN5O3/c28-18-4-8-20(9-5-18)34-14-21(25(32-34)17-2-6-19(29)7-3-17)26-33(24(35)15-37-26)12-11-16-1-10-22-23(13-16)31-27(36)30-22/h1-10,13-14,26H,11-12,15H2,(H2,30,31,36)/t26-/m1/s1
InChIKey
YGPZZDKSASSELG-AREMUKBSSA-N
Chemical Structure
2D Structure
2D structure of Canocapavir
CAS: 2137847-19-7
CID: 137477479
Formula: C27H21BrFN5O3
MW: 562.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass561.08118
Monoisotopic Mass561.08118
Topological Polar Surface Area88.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity837
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19184637Canocapavir
TYD-02677-01(S) -Canocapavir

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