ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL296854
CHEMBL296854
Compound Name PRIMAXIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H45N5O10S2

Additional synonyms for CHEMBL296854 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCC\N=C/N.CC3(C ...
Download SMILES
Standard InChI InChI=1S/C16H26N2O5S.C12H17N3O4S.H2O/c1-16(2)8-10(16)13(19)1 ...
Download InChI
Standard InChI Key DAYDLKPFBFPKHL-KJWPAVRRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL296854

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
657.8 657.2502 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL296854

Compound Cross References

ChemSpider ChemSpider:DAYDLKPFBFPKHL-KJWPAVRRSA-N
Wikipedia Imipenem/cilastatin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL296854



PubChem 66871065
SureChEMBL SCHEMBL996256

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DAYDLKPFBFPKHL-KJWPAVRRSA-N spacer
spacer