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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL479792
CHEMBL479792
Compound Name CINNOLINE
ChEMBL Synonyms Cinnoline
Max Phase 0
Trade Names
Molecular Formula C8H6N2

Additional synonyms for CHEMBL479792 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2nnccc2c1
Standard InChI InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6H
Standard InChI Key WCZVZNOTHYJIEI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL479792

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
130.2 130.0531 1.55 0 25.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.67 1.14 1.14 2 10 0.54

Structural Alerts

There are no structural alerts for CHEMBL479792

Compound Cross References

ChemSpider ChemSpider:WCZVZNOTHYJIEI-UHFFFAOYSA-N
Wikipedia Cinnoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL479792



ACToR 253-66-7
ChEBI 36617
EPA CompTox Dashboard DTXSID60179943
FDA SRS N5KD6I506O
IBM Patent System 669310FBA9047A02A90C487C7BF09365 83F64C3DD5627B7DABFB6BEBA36BEE27
Mcule MCULE-5865785868
MolPort MolPort-006-111-134
Nikkaji J5.441K
NMRShiftDB 10016258
PubChem 9208
PubChem: Thomson Pharma 16593745
SureChEMBL SCHEMBL3212
ZINC ZINC000000389555

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