CEFOXITIN

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Synonyms
Status
Molecule Category Free-form
ATC J01DC01
UNII 6OEV9DX57Y
EPA CompTox DTXSID1022764

Structure

InChI Key WZOZEZRFJCJXNZ-ZBFHGGJFSA-N
Smiles CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21
InChI
InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17N3O7S2
Molecular Weight 427.46
AlogP 0.1
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 148.26
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 100-500 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Acinetobacter baumannii
- - - 100-500 -
Citrobacter freundii
- - - 140 -
Escherichia coli
- - - 150-170 -

Cross References

Resources Reference
ChEBI 209807
ChEMBL CHEMBL996
DrugBank DB01331
DrugCentral 550
FDA SRS 6OEV9DX57Y
Human Metabolome Database HMDB0015426
Guide to Pharmacology 10937
KEGG C06887
PDB CFX
PharmGKB PA448856
PubChem 441199
SureChEMBL SCHEMBL15971
ZINC ZINC000003830449
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