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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336233
CHEMBL2336233
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H24Cl2N4O2

Additional synonyms for CHEMBL2336233 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(Cc1ccc(C)nc1)C(=O)c2c(C)nn(C)c2Oc3cccc(Cl)c3Cl
Standard InChI InChI=1S/C22H24Cl2N4O2/c1-13(2)28(12-16-10-9-14(3)25-11-16)2 ...
Download InChI
Standard InChI Key WSWKJTKHXAZGNB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336233

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
447.4 446.1276 4.63 6 60.25 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.34 4.62 4.62 3 30 0.55

Structural Alerts

There are no structural alerts for CHEMBL2336233

Compound Cross References

ChemSpider ChemSpider:WSWKJTKHXAZGNB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336233



BindingDB 50429126
PubChem 71561756
PubChem: Thomson Pharma 163562090
ZINC ZINC000095589677

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