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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL465678
CHEMBL465678
Compound Name DIHYDROSANGUINARINE
ChEMBL Synonyms Dihydrosanguinarine
Max Phase 0
Trade Names
Molecular Formula C20H15NO4

Additional synonyms for CHEMBL465678 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1Cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14
Standard InChI InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13 ...
Download InChI
Standard InChI Key CIUHLXZTZWTVFL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL465678

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
333.3 333.1001 3.91 0 40.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.36 3.31 3.31 3 25 0.62

Structural Alerts

There are no structural alerts for CHEMBL465678

Compound Cross References

ChemSpider ChemSpider:CIUHLXZTZWTVFL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL465678



ACToR 3606-45-9
Brenda 10640
ChEBI 17209
ChemicalBook CB6222282
EPA CompTox Dashboard DTXSID00189627
FDA SRS 3H1ZKG80F7
IBM Patent System A60DC17B5A8E4F88B299D3F0C12CBDD2
KEGG Ligand C05191
Metabolights MTBLC17209
MolPort MolPort-039-139-629
Nikkaji J394.144B
PDBe SGE
PubChem 124069
PubChem: Thomson Pharma 14951683
Rhea 17209
SureChEMBL SCHEMBL420383
ZINC ZINC000000895645

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