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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL56918
CHEMBL56918
Compound Name GEIPARVARIN
ChEMBL Synonyms Geiparvarin
Max Phase 0
Trade Names
Molecular Formula C19H18O5

Additional synonyms for CHEMBL56918 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C/COc1ccc2C=CC(=O)Oc2c1)\C3=CC(=O)C(C)(C)O3
Standard InChI InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6 ...
Download InChI
Standard InChI Key OUTLLBZGJYDUQE-XYOKQWHBSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL56918

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
326.4 326.1154 3.38 4 65.74 -


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
- - 1.73 1.73 2 24 0.81

Structural Alerts

There are 7 structural alerts for CHEMBL56918. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OUTLLBZGJYDUQE-XYOKQWHBSA-N
PubChem SID: 427479

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL56918



ACToR 36413-91-9
BindingDB 50421583
FDA SRS O0M5JB2L95
Nikkaji J326.047J
PubChem 5910585
PubChem: Drugs of the Future 12015704
PubChem: Thomson Pharma 15025089
SureChEMBL SCHEMBL2532495
ZINC ZINC000013819822

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