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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL569933
CHEMBL569933
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H18N2O

Additional synonyms for CHEMBL569933 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1ccccc1COC2=NCCN2
Standard InChI InChI=1S/C13H18N2O/c1-2-5-11-6-3-4-7-12(11)10-16-13-14-8-9-1 ...
Download InChI
Standard InChI Key XBWFPEVESQMIBM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL569933

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
218.3 218.1419 2.11 4 33.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.46 3.02 1.97 1 16 0.84

Structural Alerts

There are no structural alerts for CHEMBL569933

Compound Cross References

ChemSpider ChemSpider:XBWFPEVESQMIBM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL569933



BindingDB 50415140
PubChem 45487962
ZINC ZINC000045255608

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