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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL494410
CHEMBL494410
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H29N3O

Additional synonyms for CHEMBL494410 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(c1)C(=O)NCc2cccc(c2)c3cccc(CN4CCNCC4)c3
Standard InChI InChI=1S/C26H29N3O/c1-20-5-2-10-25(15-20)26(30)28-18-21-6-3- ...
Download InChI
Standard InChI Key ZQCIKMSXAIZQKB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL494410

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
399.5 399.2311 4 6 44.37 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.13 3.47 1.85 3 30 0.66

Structural Alerts

There are no structural alerts for CHEMBL494410

Compound Cross References

ChemSpider ChemSpider:ZQCIKMSXAIZQKB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL494410



BindingDB 50413454
PubChem 44573662
ZINC ZINC000040972290

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