ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1578077
CHEMBL1578077
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13N3O2

Additional synonyms for CHEMBL1578077 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(Cc2onc(n2)c3ccccn3)cc1
Standard InChI InChI=1S/C15H13N3O2/c1-19-12-7-5-11(6-8-12)10-14-17-15(18-20 ...
Download InChI
Standard InChI Key HWCNFPHKCUXKOE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1578077

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
267.3 267.1008 2.73 4 61.04 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2 2 3 20 0.73

Structural Alerts

There are no structural alerts for CHEMBL1578077

Compound Cross References

ChemSpider ChemSpider:HWCNFPHKCUXKOE-UHFFFAOYSA-N
PubChem SID: 14726710

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1578077



eMolecules 1476906
Mcule MCULE-4400678278
MolPort MolPort-002-003-471
PubChem 1082793
ZINC ZINC000000798371

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