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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1392696
CHEMBL1392696
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H22ClN3O2

Additional synonyms for CHEMBL1392696 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)c2ccc(NC(=O)c3oc(cc3)c4ccc(Cl)cc4)cc2
Standard InChI InChI=1S/C22H22ClN3O2/c1-25-12-14-26(15-13-25)19-8-6-18(7-9- ...
Download InChI
Standard InChI Key QONRQALSXOAURD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1392696

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
395.9 395.1401 4.6 4 48.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.41 7.83 3.54 3.05 3 28 0.7

Structural Alerts

There are no structural alerts for CHEMBL1392696

Compound Cross References

ChemSpider ChemSpider:QONRQALSXOAURD-UHFFFAOYSA-N
PubChem SID: 49737369

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1392696



BindingDB 51932
ChEBI 119899
eMolecules 1750984
LINCS LSM-31343
Mcule MCULE-5735259084
MolPort MolPort-002-123-397
PubChem 1494312
ZINC ZINC000004983389

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