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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1909290
CHEMBL1909290
Compound Name DERMATAN
ChEMBL Synonyms Dermatan
Max Phase 0
Trade Names
Molecular Formula C16H27NO12

Additional synonyms for CHEMBL1909290 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H]([C@@H](OC)[C ...
Download SMILES
Standard InChI InChI=1S/C16H27NO12/c1-5(19)17-7-11(8(20)6(4-18)27-15(7)26-3 ...
Download InChI
Standard InChI Key OEANUJAFZLQYOD-CXAZCLJRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1909290

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
425.4 425.1533 -3.85 7 193.47 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 6 2 13 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.74 - -3.97 -7.67 0 29 0.23

Structural Alerts

There are 1 structural alerts for CHEMBL1909290. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OEANUJAFZLQYOD-CXAZCLJRSA-N
Wikipedia Dermatan_sulfate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1909290



PubChem 57394586
ZINC ZINC000073140650

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