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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1617285
CHEMBL1617285
Compound Name CEFSULODIN
ChEMBL Synonyms Cefsulodin Sodium Salt Hydrate
Max Phase 0
Trade Names
Molecular Formula C22H21N4O8S2+

Additional synonyms for CHEMBL1617285 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c4ccccc4)S(=O ...
Download SMILES
Standard InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35 ...
Download InChI
Standard InChI Key SYLKGLMBLAAGSC-IKZMBGHXSA-O

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1617285

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
533.6 533.0795 -0.56 8 188.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 1 12 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.29 - -5.99 -6.39 2 36 0.2

Structural Alerts

There are 9 structural alerts for CHEMBL1617285. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SYLKGLMBLAAGSC-IKZMBGHXSA-O
Wikipedia Cefsulodin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1617285



BindingDB 50420258
Nikkaji J355.524K
PubChem 40247
SureChEMBL SCHEMBL18775377

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SYLKGLMBLAAGSC-IKZMBGHXSA-O spacer
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