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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336232
CHEMBL2336232
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H22Cl2N4O2

Additional synonyms for CHEMBL2336232 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(Cc1cccnc1)C(=O)c2c(C)nn(C)c2Oc3cccc(Cl)c3Cl
Standard InChI InChI=1S/C21H22Cl2N4O2/c1-13(2)27(12-15-7-6-10-24-11-15)20(2 ...
Download InChI
Standard InChI Key XIJDQANFFYYQGL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336232

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
433.3 432.112 5.27 6 60.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 6 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.62 4.25 4.25 3 29 0.53

Structural Alerts

There are no structural alerts for CHEMBL2336232

Compound Cross References

ChemSpider ChemSpider:XIJDQANFFYYQGL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336232



BindingDB 50429128
PubChem 71561754
PubChem: Thomson Pharma 163562088
ZINC ZINC000095589105

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