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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL10009
CHEMBL10009
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H24N2O2

Additional synonyms for CHEMBL10009 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)NCCc1c2c3ccccc3Cn2c4ccc(OC)cc14
Standard InChI InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9 ...
Download InChI
Standard InChI Key RQYIUGOJQFWLAZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL10009

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
348.4 348.1838 4.45 6 43.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.16 4.16 3 26 0.72

Structural Alerts

There are 1 structural alerts for CHEMBL10009. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RQYIUGOJQFWLAZ-UHFFFAOYSA-N
PubChem SID: 11111322 SID: 50106514 SID: 50106515 SID: 85231091

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL10009



BindingDB 50086013
eMolecules 539673
Guide to Pharmacology 1350
Nikkaji J1.292.654E
PubChem 4172142
PubChem: Thomson Pharma 14925275
SureChEMBL SCHEMBL19612546
ZINC ZINC000002510569

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