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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL182048
CHEMBL182048
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H24N4O3

Additional synonyms for CHEMBL182048 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCCn1ccc2c(cccc12)C3=C(C(=O)NC3=O)c4cn5CCNCc6cccc4c56
Standard InChI InChI=1S/C26H24N4O3/c31-13-3-10-29-11-8-17-18(5-2-7-21(17)29 ...
Download InChI
Standard InChI Key YJRCJVQGBKVXBL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL182048

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
440.5 440.1848 2.65 5 88.29 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.75 10.1 5.68 3.16 4 33 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL182048. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YJRCJVQGBKVXBL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL182048



PubChem 44389365
ZINC ZINC000028136368

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