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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14639
CHEMBL14639
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13N3O3

Additional synonyms for CHEMBL14639 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1cn2c3Cc4ccccc4c3nc(O)c2n1
Standard InChI InChI=1S/C16H13N3O3/c1-2-22-16(21)11-8-19-12-7-9-5-3-4-6-10( ...
Download InChI
Standard InChI Key IIMLLMNKDACERY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14639

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
295.3 295.0957 2.18 2 76.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.41 3.09 2.6 3 22 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL14639. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IIMLLMNKDACERY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14639



Nikkaji J1.325.919D
PubChem 19691063
ZINC ZINC000000022525

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