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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL567889
CHEMBL567889
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H30ClN5O3

Additional synonyms for CHEMBL567889 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2c4ccnn4C)CC1
Standard InChI InChI=1S/C25H30ClN5O3/c1-30-23(9-12-27-30)22-17-20(29-25(32) ...
Download InChI
Standard InChI Key DLFMEARHZICCJI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL567889

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
484 483.2037 4.87 8 80.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.56 7.81 3.17 2.61 3 34 0.48

Structural Alerts

There are no structural alerts for CHEMBL567889

Compound Cross References

ChemSpider ChemSpider:DLFMEARHZICCJI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL567889



BindingDB 50301481
IBM Patent System F32B7907BE941B98F0C058153F3C5226
PubChem 45486716
SureChEMBL SCHEMBL1165866
ZINC ZINC000045254338

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