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ChEMBL Statistics
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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

Structural Alerts

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

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285066



BindinDB 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
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