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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL322275
CHEMBL322275
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H32N2O

Additional synonyms for CHEMBL322275 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc2C(CCCN3CCN(CC3)c4ccccc4)CCCc12
Standard InChI InChI=1S/C24H32N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9- ...
Download InChI
Standard InChI Key JGCUFOXBUYJGBX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL322275

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
364.5 364.2515 4.72 6 15.71 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.98 5.05 4.66 2 27 0.74

Structural Alerts

There are no structural alerts for CHEMBL322275

Compound Cross References

ChemSpider ChemSpider:JGCUFOXBUYJGBX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL322275



BindingDB 50033857
IBM Patent System A507310997C26468C49FBAE02B5C6C9B
Nikkaji J665.025B
PubChem 10361439
PubChem: Thomson Pharma 15374708
SureChEMBL SCHEMBL9247478

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