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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1276234
CHEMBL1276234
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18N2

Additional synonyms for CHEMBL1276234 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C2CCCC1C=C(C2)c3cccnc3
Standard InChI InChI=1S/C14H18N2/c1-16-13-5-2-6-14(16)9-12(8-13)11-4-3-7-15 ...
Download InChI
Standard InChI Key APTUPAXCDMGCCK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1276234

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
214.3 214.147 2.23 1 16.13 BASE


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
- 8.51 2.36 1.28 1 16 0.71

Structural Alerts

There are no structural alerts for CHEMBL1276234

Compound Cross References

ChemSpider ChemSpider:APTUPAXCDMGCCK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1276234



BindingDB 50331014
IBM Patent System 2A9E0EFE7187B907ECEC087992F45DC5
PubChem 22463282
PubChem: Thomson Pharma 74375801
SureChEMBL SCHEMBL7210016

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