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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

Structural Alerts

There are no structural alerts for CHEMBL479792

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

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

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