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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL290949
CHEMBL290949
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H24N4O

Additional synonyms for CHEMBL290949 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCn1cnc2C(O)CN=CNc12
Standard InChI InChI=1S/C14H24N4O/c1-2-3-4-5-6-7-8-18-11-17-13-12(19)9-15-1 ...
Download InChI
Standard InChI Key AOYMGKKYIWXIHH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL290949

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
264.4 264.195 2.73 7 62.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.95 7.85 2.04 1.8 1 19 0.74

Structural Alerts

There are 6 structural alerts for CHEMBL290949. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AOYMGKKYIWXIHH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL290949



BindingDB 50087317
Nikkaji J1.319.723G
PubChem 10778046
PubChem: Thomson Pharma 15816275

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