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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65549
CHEMBL65549
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H12Cl2N4O

Additional synonyms for CHEMBL65549 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(C(C2Cc3ccccc3O2)n4cnnn4)c(Cl)c1
Standard InChI InChI=1S/C16H12Cl2N4O/c17-11-5-6-12(13(18)8-11)16(22-9-19-20 ...
Download InChI
Standard InChI Key FSWJQLLWPOKRJJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65549

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
347.2 346.0388 3.57 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
- .4 4.16 4.16 3 23 0.73

Structural Alerts

There are no structural alerts for CHEMBL65549

Compound Cross References

ChemSpider ChemSpider:FSWJQLLWPOKRJJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65549



BindingDB 50079819
PubChem 44306491

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