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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1489349
CHEMBL1489349
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16N2O3

Additional synonyms for CHEMBL1489349 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccccc1C2=NOC(C2)C(=O)N3CCCC3
Standard InChI InChI=1S/C14H16N2O3/c17-12-6-2-1-5-10(12)11-9-13(19-15-11)14 ...
Download InChI
Standard InChI Key AYQVEVCDPOXJRR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1489349

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
260.3 260.1161 1.51 2 62.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.61 - .71 .69 1 19 0.88

Structural Alerts

There are no structural alerts for CHEMBL1489349

Compound Cross References

ChemSpider ChemSpider:AYQVEVCDPOXJRR-UHFFFAOYSA-N
PubChem SID: 4257397

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1489349



eMolecules 1513337
MolPort MolPort-002-015-002

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