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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336226
CHEMBL2336226
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H25Cl2N3O2

Additional synonyms for CHEMBL2336226 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccccc1C2CCCCN2C(=O)c3c(C)nn(C)c3Oc4cccc(Cl)c4Cl
Standard InChI InChI=1S/C24H25Cl2N3O2/c1-15-9-4-5-10-17(15)19-12-6-7-14-29( ...
Download InChI
Standard InChI Key KNGJGFOPUCUOSP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336226

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
458.4 457.1324 6.5 4 47.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 5 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.04 7.05 7.05 3 31 0.45

Structural Alerts

There are no structural alerts for CHEMBL2336226

Compound Cross References

ChemSpider ChemSpider:KNGJGFOPUCUOSP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336226



BindingDB 50429134
PubChem 71561618
PubChem: Thomson Pharma 163561939

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