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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2426498
CHEMBL2426498
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H38N4O2

Additional synonyms for CHEMBL2426498 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(N1CCC(CC1)N2CCCC2)c3ccc(cc3)C(=O)N4CCC(CC4)N5CCCC5
Standard InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-23(10-18-29)27-13-1-2-14- ...
Download InChI
Standard InChI Key HIWUTKCNKODAMJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2426498

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
438.6 438.2995 3.09 4 47.1 BASE


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
- 10.22 1.22 -2.69 1 32 0.72

Structural Alerts

There are no structural alerts for CHEMBL2426498

Compound Cross References

ChemSpider ChemSpider:HIWUTKCNKODAMJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2426498



BindingDB 50440603
PubChem 56577044
ZINC ZINC000096284375

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