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LB80317

CAT: 0013-GTR19224353-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224353-01Size:100 mg
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Description
LB-80317 is a small molecule DNA polymerase inhibitor investigated for the treatment of chronic hepatitis B virus (HBV) infection. It demonstrates antiviral activity by targeting HBV replication in both in vitro cellular assays and in vivo animal models of HBV.
CAS Number
441785-24-6
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Smiles
O=C1N=C (N) NC2=C1N=CN2CC3 (OCP (=O) (O) O) CC3
Molecular Formula
C10H14N5O5P
Molecular Weight
315.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
CAS Number441785-24-6
PubChem CID135482174
IUPAC Name[1-[(2-amino-6-oxo-1H-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
Molecular FormulaC10H14N5O5P
Molecular Weight315.22
XLogP-2.7
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity530
SMILES
C1CC1(CN2C=NC3=C2N=C(NC3=O)N)OCP(=O)(O)O
InChI
InChI=1S/C10H14N5O5P/c11-9-13-7-6(8(16)14-9)12-4-15(7)3-10(1-2-10)20-5-21(17,18)19/h4H,1-3,5H2,(H2,17,18,19)(H3,11,13,14,16)
InChIKey
IMAMTECZRBMXGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
CAS: 441785-24-6
CID: 135482174
Formula: C10H14N5O5P
MW: 315.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.22
XLogP3-2.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass315.07325556
Monoisotopic Mass315.07325556
Topological Polar Surface Area152 Ų
Heavy Atom Count21
Formal Charge0
Complexity530
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
HY-106235LB80317

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