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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL524365
CHEMBL524365
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H26Cl2N4O2

Additional synonyms for CHEMBL524365 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].[Cl-].O\N=C/c1cccc[n+]1CCCCCCC[n+]2ccccc2\C=N\O
Standard InChI InChI=1S/C19H24N4O2.2ClH/c24-20-16-18-10-4-8-14-22(18)12-6-2 ...
Download InChI
Standard InChI Key KWKVOBJDIIAAPV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL524365

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
342.4 342.2045 2.53 10 72.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.67 - -3.28 -2.71 2 25 0.23

Structural Alerts

There are 16 structural alerts for CHEMBL524365. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KWKVOBJDIIAAPV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL524365



PubChem: Thomson Pharma 14855498

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