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Cap-dependent endonuclease-IN-25

CAT: 0931-T62150-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62150-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2415788-71-3
Target
Others, Influenza Virus
Related Pathways
Microbiology/Virology, Others
Bioactivity
Cap-dependent endonuclease-IN-25 is a macrocyclic pyridoxal derivative and a potent inhibitor of cap-dependent nucleic acid endonucleases (CEN) with potential for studying viral infections caused by viruses of the Orthomyxoviridae family.
Smiles
O=C1C=2N(N3C(C=4C(=CC=CC4)CCCCCN1C3)C5=CC=CC=C5)C=CC(=O)C2O
Molecular Formula
C25H25N3O3
Molecular Weight
415.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cap-dependent endonuclease-IN-25
CAS Number2415788-71-3
PubChem CID147125949
IUPAC Name17-hydroxy-2-phenyl-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3,5,7,16,19-pentaene-15,18-dione
Molecular FormulaC25H25N3O3
Molecular Weight415.5
XLogP4.9
Topological Polar Surface Area64.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count31
Formal Charge0
Complexity770
SMILES
C1CCC2=CC=CC=C2C(N3CN(CC1)C(=O)C4=C(C(=O)C=CN43)O)C5=CC=CC=C5
InChI
InChI=1S/C25H25N3O3/c29-21-14-16-27-23(24(21)30)25(31)26-15-8-2-5-9-18-10-6-7-13-20(18)22(28(27)17-26)19-11-3-1-4-12-19/h1,3-4,6-7,10-14,16,22,30H,2,5,8-9,15,17H2
InChIKey
BPGWVQLNXPHEQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-25
CAS: 2415788-71-3
CID: 147125949
Formula: C25H25N3O3
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass415.18959167
Monoisotopic Mass415.18959167
Topological Polar Surface Area64.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity770
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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Alternative Products

CatalogName
HY-144068Cap-dependent endonuclease-IN-25
HY-143766Cap-dependent endonuclease-IN-13
HY-143743Cap-dependent endonuclease-IN-2
HY-143747Cap-dependent endonuclease-IN-5
MBS5814616Cap-dependent endonuclease-IN-7
MBS5806371Cap-dependent endonuclease-IN-23
BUP02258-01Cap-dependent endonuclease-IN-1
GTR19186770-01Cap-dependent endonuclease-IN-26
GTR19184663-01Cap-dependent endonuclease-IN-14
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