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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL247191
CHEMBL247191
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H34N6O3

Additional synonyms for CHEMBL247191 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)n2nc(C(=O)N)c3CCN(C4CCN(CC4)c5ccccc5CN(C)C)C(=O) ...
Download SMILES
Standard InChI InChI=1S/C28H34N6O3/c1-31(2)18-19-6-4-5-7-24(19)32-15-12-20( ...
Download InChI
Standard InChI Key QLIJAYGAJCPYAJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL247191

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
502.6 502.2692 2.71 7 96.93 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.72 1.92 .4 3 37 0.53

Structural Alerts

There are no structural alerts for CHEMBL247191

Compound Cross References

ChemSpider ChemSpider:QLIJAYGAJCPYAJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL247191



BindingDB 19037
PubChem 23648151
ZINC ZINC000014969573

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