CEFORANIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01DC11
UNII 8M1YF8951V
EPA CompTox DTXSID1022760

Structure

InChI Key SLAYUXIURFNXPG-CRAIPNDOSA-N
Smiles NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12
InChI
InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21N7O6S2
Molecular Weight 519.57
AlogP -0.71
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 193.63
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed PubMed Wikipedia

Related Entries

Cross References

Resources Reference
ChEBI 3495
ChEMBL CHEMBL1201046
DrugBank DB00923
DrugCentral 544
FDA SRS 8M1YF8951V
Human Metabolome Database HMDB0015059
KEGG C06884
PharmGKB PA164746057
PubChem 43507
SureChEMBL SCHEMBL122072
ZINC ZINC000003830434
CONTENTS