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Cap-dependent endonuclease-IN-13

CAT: 0931-T63519-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63519-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2703046-60-8
Target
Others, Influenza Virus
Related Pathways
Microbiology/Virology, Others
Bioactivity
Cap-dependent endonuclease-IN-13 is a potent inhibitor of cap-dependent endonuclease (CEN) and demonstrates research potential against influenza virus infection [influenza A only].
Smiles
O=C1N2[C@](N(N3C1=C(O)C(=O)C=C3)[C@H]4C=5C(CSC=6C4=CC=CC6)=C(F)C(F)=CC5)(CC(=NO)CC2)[H]
Molecular Formula
C25H20F2N4O4S
Molecular Weight
510.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cap-dependent endonuclease-IN-13
CAS Number2703046-60-8
PubChem CID163196320
IUPAC Name(3R,5E)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-11-hydroxy-5-hydroxyimino-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
Molecular FormulaC25H20F2N4O4S
Molecular Weight510.5
XLogP3.7
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Heavy Atom Count36
Formal Charge0
Complexity1040
SMILES
C\1CN2[C@@H](C/C1=N/O)N(N3C=CC(=O)C(=C3C2=O)O)[C@H]4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F
InChI
InChI=1S/C25H20F2N4O4S/c26-17-6-5-14-16(21(17)27)12-36-19-4-2-1-3-15(19)22(14)31-20-11-13(28-35)7-9-29(20)25(34)23-24(33)18(32)8-10-30(23)31/h1-6,8,10,20,22,33,35H,7,9,11-12H2/b28-13+/t20-,22+/m1/s1
InChIKey
XIIKIJUUWZWCQC-MUUYWFLDSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-13
CAS: 2703046-60-8
CID: 163196320
Formula: C25H20F2N4O4S
MW: 510.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Exact Mass510.11733263
Monoisotopic Mass510.11733263
Topological Polar Surface Area122 Ų
Heavy Atom Count36
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-143766Cap-dependent endonuclease-IN-13
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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