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Cap-dependent endonuclease-IN-6

CAT: 0931-T62208-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62208-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2489248-15-7
Target
Influenza Virus, Others
Related Pathways
Microbiology/Virology, Others
Bioactivity
Cap-dependent endonuclease-IN-6 (compound 13) is a Cap-dependent endonuclease (CEN) inhibitor that targets and inhibits the influenza virus.
Smiles
CC1(C)CN(C2C=3C(CSC=4C2=CC=CC4)=NC=CC3)N5C(C1=O)=C(O)C(=O)C=C5
Molecular Formula
C23H21N3O3S
Molecular Weight
419.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cap-dependent endonuclease-IN-6
CAS Number2489248-15-7
PubChem CID163196315
IUPAC Name1-(5,11-dihydro-[1]benzothiepino[3,4-b]pyridin-11-yl)-5-hydroxy-3,3-dimethyl-2H-pyrido[1,2-b]pyridazine-4,6-dione
Molecular FormulaC23H21N3O3S
Molecular Weight419.5
XLogP3.8
Topological Polar Surface Area99
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity808
SMILES
CC1(CN(N2C=CC(=O)C(=C2C1=O)O)C3C4=C(CSC5=CC=CC=C35)N=CC=C4)C
InChI
InChI=1S/C23H21N3O3S/c1-23(2)13-26(25-11-9-17(27)21(28)20(25)22(23)29)19-14-7-5-10-24-16(14)12-30-18-8-4-3-6-15(18)19/h3-11,19,28H,12-13H2,1-2H3
InChIKey
JTJWUQMZVGWKRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-6
CAS: 2489248-15-7
CID: 163196315
Formula: C23H21N3O3S
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass419.13036271
Monoisotopic Mass419.13036271
Topological Polar Surface Area99 Ų
Heavy Atom Count30
Formal Charge0
Complexity808
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

Related Products

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T63910-01Cap-dependent endonuclease-IN-5
T63983-01Cap-dependent endonuclease-IN-20
T63673-01Cap-dependent endonuclease-IN-10
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Alternative Products

CatalogName
HY-143749Cap-dependent endonuclease-IN-6
HY-143775Cap-dependent endonuclease-IN-20
HY-144067Cap-dependent endonuclease-IN-23
HY-143757Cap-dependent endonuclease-IN-10
HY-144068Cap-dependent endonuclease-IN-25
HY-162242Cap-dependent endonuclease-IN-27
HY-143768Cap-dependent endonuclease-IN-14
HY-143750Cap-dependent endonuclease-IN-7
MBS5816273Cap-dependent endonuclease-IN-12
MBS5814611Cap-dependent endonuclease-IN-15

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