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Cap-dependent endonuclease-IN-17

CAT: 0931-T63981-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63981-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2649362-71-8
Target
Others, Influenza Virus
Related Pathways
Microbiology/Virology, Others
Bioactivity
Cap-dependent endonuclease-IN-17, a cap-dependent endonuclease (CEN) inhibitor, exhibits antiviral activity against influenza virus A/Hanfang/359/95 (H3N2) with an IC50 of 1.29 μM.
Smiles
O(P(=O)(O)O)C1=C2N(N([C@]3(N(C2=O)CCOC3)[H])[C@H]4C=5C(CSC=6C4=CC=CC6)=C(F)C(F)=CC5)C=CC1=O
Molecular Formula
C24H20F2N3O7PS
Molecular Weight
563.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cap-dependent endonuclease-IN-17
CAS Number2649362-71-8
PubChem CID163196324
IUPAC Name[(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl] dihydrogen phosphate
Molecular FormulaC24H20F2N3O7PS
Molecular Weight563.5
XLogP-0.5
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity1100
SMILES
C1COC[C@@H]2N1C(=O)C3=C(C(=O)C=CN3N2[C@H]4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F)OP(=O)(O)O
InChI
InChI=1S/C24H20F2N3O7PS/c25-16-6-5-13-15(20(16)26)12-38-18-4-2-1-3-14(18)21(13)29-19-11-35-10-9-27(19)24(31)22-23(36-37(32,33)34)17(30)7-8-28(22)29/h1-8,19,21H,9-12H2,(H2,32,33,34)/t19-,21+/m1/s1
InChIKey
RBPQWOONNOYHLF-CTNGQTDRSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-17
CAS: 2649362-71-8
CID: 163196324
Formula: C24H20F2N3O7PS
MW: 563.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.5
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Exact Mass563.07276448
Monoisotopic Mass563.07276448
Topological Polar Surface Area145 Ų
Heavy Atom Count38
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5806645Cap-dependent endonuclease-IN-17
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-143768Cap-dependent endonuclease-IN-14
HY-143750Cap-dependent endonuclease-IN-7
HY-143749Cap-dependent endonuclease-IN-6
HY-162242Cap-dependent endonuclease-IN-27
MBS5816273Cap-dependent endonuclease-IN-12

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