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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL294357
CHEMBL294357
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13ClN4O

Additional synonyms for CHEMBL294357 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cc1)C(C2Cc3ccccc3O2)n4cnnn4
Standard InChI InChI=1S/C16H13ClN4O/c17-13-7-5-11(6-8-13)16(21-10-18-19-20- ...
Download InChI
Standard InChI Key GXEUBSDSOQUBMV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL294357

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
312.8 312.0778 2.92 3 52.83 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
- .47 4.14 4.14 3 22 0.75

Structural Alerts

There are no structural alerts for CHEMBL294357

Compound Cross References

ChemSpider ChemSpider:GXEUBSDSOQUBMV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL294357



BindingDB 50079815
PubChem 44306494

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