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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2177686
CHEMBL2177686
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H19NO5

Additional synonyms for CHEMBL2177686 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(C(CC(=O)c1ccc2c(c1)[nH]c3ccccc23)c4ccccc4)C(=O)O
Standard InChI InChI=1S/C24H19NO5/c26-21(13-18(14-6-2-1-3-7-14)22(23(27)28) ...
Download InChI
Standard InChI Key OBMGEBSSWPCBJP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2177686

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
401.4 401.1263 4.46 7 107.46 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.96 - 2.66 -2.03 4 30 0.31

Structural Alerts

There are 4 structural alerts for CHEMBL2177686. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OBMGEBSSWPCBJP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2177686



BindingDB 50399648
PubChem 66759299
PubChem: Thomson Pharma 163504550
SureChEMBL SCHEMBL656921

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