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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1414132
CHEMBL1414132
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13NO3

Additional synonyms for CHEMBL1414132 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(c1ccccc1)c2ccc3OCC(=O)NCc3c2
Standard InChI InChI=1S/C16H13NO3/c18-15-10-20-14-7-6-12(8-13(14)9-17-15)16 ...
Download InChI
Standard InChI Key OMIAELUTBHIIHL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1414132

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
267.3 267.0895 1.93 2 55.4 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.69 - 2.3 2.3 2 20 0.85

Structural Alerts

There are 1 structural alerts for CHEMBL1414132. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OMIAELUTBHIIHL-UHFFFAOYSA-N
PubChem SID: 4256863

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1414132



BindingDB 50396729
eMolecules 2044765
Mcule MCULE-5167563765
MolPort MolPort-001-537-481
PubChem 668656
ZINC ZINC000000029010

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