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FL-166

CAT: 0013-GTR19263417-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263417-01Size:50 mg
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Description
FL-166 is an inhibitor of the SARS coronavirus main protease (Mpro) with a Ki of 40 nM. It exerts its inhibitory effect by targeting a cluster of serine residues near the protease's active site. FL-166 is applicable in research related to SARS-CoV.
CAS Number
693235-40-4
Field of Research
Infectious Disease & Virology
Smiles
O=C (NC1=CC=C (C=C1) NC (=O) C2=CC (=CC (=C2) N (=O) =O) B (O) O) C3=CC (=CC (=C3) N (=O) =O) B (O) O
Molecular Formula
C20H16B2N4O10
Molecular Weight
493.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[3-[[4-[(3-Borono-5-nitro-benzoyl)amino]phenyl]carbamoyl]-5-nitro-phenyl]boronic acid
CAS Number693235-40-4
PubChem CID5742801
IUPAC Name[3-[[4-[(3-borono-5-nitrobenzoyl)amino]phenyl]carbamoyl]-5-nitrophenyl]boronic acid
Molecular FormulaC20H16B2N4O10
Molecular Weight494.0
Topological Polar Surface Area231
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity749
SMILES
B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)B(O)O)[N+](=O)[O-])(O)O
InChI
InChI=1S/C20H16B2N4O10/c27-19(11-5-13(21(29)30)9-17(7-11)25(33)34)23-15-1-2-16(4-3-15)24-20(28)12-6-14(22(31)32)10-18(8-12)26(35)36/h1-10,29-32H,(H,23,27)(H,24,28)
InChIKey
JBHJLTFEEOIBFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [3-[[4-[(3-Borono-5-nitro-benzoyl)amino]phenyl]carbamoyl]-5-nitro-phenyl]boronic acid
CAS: 693235-40-4
CID: 5742801
Formula: C20H16B2N4O10
MW: 494.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.0
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass494.1052531
Monoisotopic Mass494.1052531
Topological Polar Surface Area231 Ų
Heavy Atom Count36
Formal Charge0
Complexity749
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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