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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1308480
CHEMBL1308480
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13NO4

Additional synonyms for CHEMBL1308480 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)C(=O)CN2C(=O)c3ccccc3C2=O
Standard InChI InChI=1S/C17H13NO4/c1-22-12-8-6-11(7-9-12)15(19)10-18-16(20) ...
Download InChI
Standard InChI Key TWGHMNJIFKZEDM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1308480

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
295.3 295.0845 2.17 4 63.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.61 1.61 2 22 0.64

Structural Alerts

There are 2 structural alerts for CHEMBL1308480. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TWGHMNJIFKZEDM-UHFFFAOYSA-N
PubChem SID: 26729967

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1308480



eMolecules 5840100
EPA CompTox Dashboard DTXSID80384658
IBM Patent System FA47A83669C5C03909B1740C4F9CE79F
Mcule MCULE-8599368332
MolPort MolPort-002-902-734
Nikkaji J1.339.508J
PubChem 2815658
PubChem: Thomson Pharma 49640375
SureChEMBL SCHEMBL1609155
ZINC ZINC000000158043

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