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HBV-IN-49

CAT: 0804-HY-169125-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-169125-01Size:1 mg
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Description
HBV-IN-49 is an anti-hepatitis B virus (HBV) agent that inhibits HBV replication. HBV-IN-49 can be utilized in infection research[1].
CAS Number
380458-45-7
UNSPSC
12352005
Target
HBV
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/hbv-in-49.html
Smiles
O=C1N(C(C2=CN(C3=CC=CC=C3)N=C2C4=CC=CS4)SC1)CCCOC
Molecular Formula
C20H21N3O2S2
Molecular Weight
399.53
References & Citations
[1]Robert K, et al. Thiazolidin-4-ones having anti-hepatitis b activity, WO2006033995A2, 2006-03-30
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antiviral Agent

Antiviral Agent is any agent that can treat or prevent viral infections by interfering with the viral replication cycle.

CAS Number380458-45-7
PubChem CID5222231
IUPAC Name3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
Molecular FormulaC20H21N3O2S2
Molecular Weight399.5
XLogP3.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity504
SMILES
COCCCN1C(SCC1=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3O2S2/c1-25-11-6-10-22-18(24)14-27-20(22)16-13-23(15-7-3-2-4-8-15)21-19(16)17-9-5-12-26-17/h2-5,7-9,12-13,20H,6,10-11,14H2,1H3
InChIKey
SRCORKFAUMLHBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antiviral Agent
CAS: 380458-45-7
CID: 5222231
Formula: C20H21N3O2S2
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass399.10751927
Monoisotopic Mass399.10751927
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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