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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL592910
CHEMBL592910
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H26N4O3

Additional synonyms for CHEMBL592910 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(N1CCCNCC1)c2ccc(cc2)C(=O)N3CCc4cccc5C(=O)NCC3c45
Standard InChI InChI=1S/C24H26N4O3/c29-22-19-4-1-3-16-9-13-28(20(15-26-22)2 ...
Download InChI
Standard InChI Key NQXJBTPJJMSCCJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL592910

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
418.5 418.2005 1.61 2 81.75 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.95 1.16 -.67 2 31 0.78

Structural Alerts

There are no structural alerts for CHEMBL592910

Compound Cross References

ChemSpider ChemSpider:NQXJBTPJJMSCCJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL592910



BindingDB 50306282
PubChem 24772196
PubChem: Thomson Pharma 49694188

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