ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285066
CHEMBL285066
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H26N4O2

Additional synonyms for CHEMBL285066 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CN(CN2CCN(CC2)c3cccc4ccccc34)C(=O)C5CCCN15
Standard InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16 ...
Download InChI
Standard InChI Key CTZWGZSINBFHFD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL285066

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
378.5 378.2056 1.79 3 47.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.59 2.05 2 2 28 0.82

Structural Alerts

There are 2 structural alerts for CHEMBL285066. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CTZWGZSINBFHFD-UHFFFAOYSA-N
Wikipedia CSP-2503

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285066



BindingDB 50126475
Nikkaji J2.009.319F
PubChem 10317515
PubChem: Thomson Pharma 15326762

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