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Antiviral agent 37

CAT: 0804-HY-155795Size: 1 EachDry Ice: NoHazardous: No
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Description
Antiviral agent 37 (Page 57) is an effective pUL97 inhibitor. Antiviral agent 37 can be used for the study of human cytomegalovirus (HCMV) [1].
CAS Number
357163-03-2
UNSPSC
12352005
Target
CMV
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O=C1N=C(C(F)(F)F)C=C(N1)/C=C/C2=CC=C(C3=CC(Cl)=C(C)C=C3)O2
Molecular Formula
C18H12ClF3N2O2
Molecular Weight
380.75
References & Citations
[1]Andrea Missio, et al. Pyrimidones as antiviral agents. WO2004016271A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-[2-[5-(3-chloro-4-methylphenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CAS Number357163-03-2
PubChem CID3311066
IUPAC Name4-[2-[5-(3-chloro-4-methylphenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.7
XLogP4.3
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity645
SMILES
CC1=C(C=C(C=C1)C2=CC=C(O2)C=CC3=NC(=O)NC(=C3)C(F)(F)F)Cl
InChI
InChI=1S/C18H12ClF3N2O2/c1-10-2-3-11(8-14(10)19)15-7-6-13(26-15)5-4-12-9-16(18(20,21)22)24-17(25)23-12/h2-9H,1H3,(H,23,24,25)
InChIKey
FPKGAUURRLENKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[2-[5-(3-chloro-4-methylphenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CAS: 357163-03-2
CID: 3311066
Formula: C18H12ClF3N2O2
MW: 380.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.7
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass380.0539398
Monoisotopic Mass380.0539398
Topological Polar Surface Area54.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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