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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL567243
CHEMBL567243
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12ClN5O2

Additional synonyms for CHEMBL567243 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1ncn2c1Cn3ncnc3c4cc(Cl)ccc24
Standard InChI InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21 ...
Download InChI
Standard InChI Key PPAPIXRCRCPGPU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL567243

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
329.8 329.068 2.32 2 74.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.35 3.38 3.38 3 23 0.53

Structural Alerts

There are 1 structural alerts for CHEMBL567243. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PPAPIXRCRCPGPU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL567243



BindingDB 50378517
IBM Patent System CBCED942C0C17CFD7BC73A9D4B0B6A46
PubChem 20094031
PubChem: Thomson Pharma 87553390
SureChEMBL SCHEMBL3919167
ZINC ZINC000045246001

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