CEFPIROME

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01DE02
UNII: S72Q2F09HY

Structure
InChI Key DKOQGJHPHLTOJR-WHRDSVKCSA-N
Smile CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1
InChI
InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22N6O5S2
Molecular Weight 514.59
AlogP -1.04
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 153.92
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3503
ChEMBL CHEMBL65794
DrugBank DB13682
DrugCentral 553
EPA CompTox DTXSID2048244
FDA SRS S72Q2F09HY
Human Metabolome Database HMDB0041852
KEGG C11199
PubChem 5479539
SureChEMBL SCHEMBL49406
CONTENTS