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(Rac) -LY 255262

CAT: 0804-HY-120583Size: 1 EachDry Ice: NoHazardous: No
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Description
(Rac) -LY 255262 is a pyrazolidinone-derivative that has antibacterial activity[1].
CAS Number
106892-82-4
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/rac-ly-255262.html
Smiles
OC(C1=C(C#N)CN(CC2NC(/C(C3=CSC(N)=N3)=N\OC)=O)N1C2=O)=O
Molecular Formula
C14H13N7O5S
Molecular Weight
391.36
References & Citations
[1]R J Ternansky, et al. Structure-activity relationship within a series of pyrazolidinone antibacterial agents. 1. Effect of nuclear modification on in vitro activity. J Med Chem. 1993 Oct 29;36 (22) :3219-23.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(Rac)-LY 255262
CAS Number106892-82-4
PubChem CID5487282
IUPAC Name2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-6-cyano-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
Molecular FormulaC14H13N7O5S
Molecular Weight391.36
XLogP-2.9
Topological Polar Surface Area202
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity803
SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=O)NC2CN3CC(=C(N3C2=O)C(=O)O)C#N
InChI
InChI=1S/C14H13N7O5S/c1-26-19-9(8-5-27-14(16)18-8)11(22)17-7-4-20-3-6(2-15)10(13(24)25)21(20)12(7)23/h5,7H,3-4H2,1H3,(H2,16,18)(H,17,22)(H,24,25)/b19-9-
InChIKey
WZGPMIRFTFJVLS-OCKHKDLRSA-N
Chemical Structure
2D Structure
2D structure of (Rac)-LY 255262
CAS: 106892-82-4
CID: 5487282
Formula: C14H13N7O5S
MW: 391.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.36
XLogP3-2.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass391.06988771
Monoisotopic Mass391.06988771
Topological Polar Surface Area202 Ų
Heavy Atom Count27
Formal Charge0
Complexity803
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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