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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL325238
CHEMBL325238
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H27N

Additional synonyms for CHEMBL325238 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(CCc1ccccc1)CN2CCC(CC2)c3ccccc3
Standard InChI InChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-1 ...
Download InChI
Standard InChI Key HQGDPZPNAXRCSA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL325238

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
293.5 293.2143 5.34 6 3.24 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.63 5.31 3.13 2 22 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL325238. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HQGDPZPNAXRCSA-UHFFFAOYSA-N
PubChem SID: 11113602 SID: 26751801
Wikipedia 4-PPBP

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL325238



ACToR 136534-70-8
BindingDB 50007400
ChEBI 104237
IBM Patent System D16B5E679A3244773F934E8FDB2684B7
LINCS LSM-15601
Nikkaji J442.688F
PubChem 3035672
PubChem: Thomson Pharma 15072434
SureChEMBL SCHEMBL866873
ZINC ZINC000002557962

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