ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL436129
CHEMBL436129
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H39N9O12S2

Additional synonyms for CHEMBL436129 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O ...
Download SMILES
Standard InChI InChI=1S/C23H27N5O7S.C10H12N4O5S/c1-4-26-10-11-27(19(32)18(2 ...
Download InChI
Standard InChI Key LITBAYYWXZOHAW-XDZRHBBOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL436129

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
817.9 817.216 - - - -


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 CHEMBL436129

Compound Cross References

ChemSpider ChemSpider:LITBAYYWXZOHAW-XDZRHBBOSA-N
Wikipedia Piperacillin/tazobactam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL436129



PubChem 9918881
PubChem: Thomson Pharma 14889341 14889340
SureChEMBL SCHEMBL1325039

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