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Cap-dependent endonuclease-IN-11

CAT: 0931-T63680-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63680-01Size:25 mg
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CAS Number
2658472-51-4
Target
Others
Related Pathways
Others
Bioactivity
Cap-dependent endonuclease-IN-11 is a potent inhibitor of cap-dependent nucleic acid endonucleases (CEN) with demonstrated research potential for treating viral infections.
Smiles
C(C=C)(=O)N1CN([C@H]2C=3C(CSC=4C2=CC=CC4)=C(F)C(F)=CC3)N5C(C1=O)=C(O)C(=O)C(C(O)=O)=C5
Molecular Formula
C25H17F2N3O6S
Molecular Weight
525.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cap-dependent endonuclease-IN-11
CAS Number2658472-51-4
PubChem CID156560381
IUPAC Name1-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-5-hydroxy-4,6-dioxo-3-prop-2-enoyl-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
Molecular FormulaC25H17F2N3O6S
Molecular Weight525.5
XLogP2.3
Topological Polar Surface Area144
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity1110
SMILES
C=CC(=O)N1CN(N2C=C(C(=O)C(=C2C1=O)O)C(=O)O)[C@H]3C4=C(CSC5=CC=CC=C35)C(=C(C=C4)F)F
InChI
InChI=1S/C25H17F2N3O6S/c1-2-18(31)28-11-30(29-9-14(25(35)36)22(32)23(33)21(29)24(28)34)20-12-7-8-16(26)19(27)15(12)10-37-17-6-4-3-5-13(17)20/h2-9,20,33H,1,10-11H2,(H,35,36)/t20-/m0/s1
InChIKey
VVGXJHIJDQZXCP-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-11
CAS: 2658472-51-4
CID: 156560381
Formula: C25H17F2N3O6S
MW: 525.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass525.08061277
Monoisotopic Mass525.08061277
Topological Polar Surface Area144 Ų
Heavy Atom Count37
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count1
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
MBS5806348Cap-dependent endonuclease-IN-11
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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