ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2303614
CHEMBL2303614
Compound Name CHONDROITIN SULFATE
ChEMBL Synonyms Chondroitin Sulfate
Max Phase 0
Trade Names
Molecular Formula C19H33NO14S

Additional synonyms for CHEMBL2303614 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@H]1[C@H](CO)O[C@H](CO)[C@H](CS(=O)(=O)O)[C@@H]1COC ...
Download SMILES
Standard InChI InChI=1S/C19H33NO14S/c1-8(24)20-15-10(11(7-35(29,30)31)12(3- ...
Download InChI
Standard InChI Key OAEOAAHCJGWJIC-CEVJMMQXSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2303614

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
531.5 531.1622 -4.44 11 249.61 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 8 3 15 8 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.6 - -5.71 -10.46 0 35 0.12

Structural Alerts

There are 4 structural alerts for CHEMBL2303614. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OAEOAAHCJGWJIC-CEVJMMQXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2303614



PubChem 71720239
ZINC ZINC000095569775

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