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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1562258
CHEMBL1562258
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H4N2

Additional synonyms for CHEMBL1562258 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N#CCCC#N
Standard InChI InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2
Standard InChI Key IAHFWCOBPZCAEA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1562258

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
80.1 80.0374 0.81 1 47.58 -


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
- - -.85 -.85 0 6 0.44

Structural Alerts

There are 3 structural alerts for CHEMBL1562258. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IAHFWCOBPZCAEA-UHFFFAOYSA-N
PubChem SID: 144207833 SID: 17388722

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1562258



ACToR 110-61-2 1118-77-0
Brenda 207625 10784 123973
ChemicalBook CB5767580
eMolecules 481608
EPA CompTox Dashboard DTXSID9026059
FDA SRS 1R479O92DO
IBM Patent System 239BAF252A0D2B84181553332DAA1A62
Mcule MCULE-5570794181
MolPort MolPort-001-787-937
Nikkaji J2.450C
NMRShiftDB 10017072
PubChem 8062
PubChem: Thomson Pharma 14891389
SureChEMBL SCHEMBL56391
ZINC ZINC000001680419

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