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Fabimycin

CAT: 0013-GTR19212242-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212242-02Size:50 mg
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Description
Fabimycin is a potent small-molecule FabI inhibitor with robust antibacterial activity against Gram-negative pathogens. It demonstrates efficacy in both in vitro assays and in vivo models, showing promise for research into novel therapeutics targeting multidrug-resistant Gram-negative infections.
CAS Number
2651965-71-6
Field of Research
Infectious Disease & Virology
Smiles
CC=1C=2C (OC1CN (C (/C=C/C=3C=C4C (NC3) =NC (=O) [C@@H] (N) CC4) =O) C) =CC=CC2.Cl
Molecular Formula
C23H25ClN4O3
Molecular Weight
440.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 156500279
CAS Number2651965-71-6
PubChem CID156500279
IUPAC Name(E)-3-[(7S)-7-amino-8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
Molecular FormulaC23H25ClN4O3
Molecular Weight440.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity669
SMILES
CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(NC(=O)[C@H](CC4)N)N=C3.Cl
InChI
InChI=1S/C23H24N4O3.ClH/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15;/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29);1H/b10-7+;/t18-;/m0./s1
InChIKey
FCJIJHAQWMWXOH-CVODZKDNSA-N
Chemical Structure
2D Structure
2D structure of CID 156500279
CAS: 2651965-71-6
CID: 156500279
Formula: C23H25ClN4O3
MW: 440.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass440.1615184
Monoisotopic Mass440.1615184
Topological Polar Surface Area101 Ų
Heavy Atom Count31
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
T73291-01Fabimycin

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