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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336231
CHEMBL2336231
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H20Cl2N4O2

Additional synonyms for CHEMBL2336231 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(Cc1cccnc1)C(=O)c2c(C)nn(C)c2Oc3cccc(Cl)c3Cl
Standard InChI InChI=1S/C20H20Cl2N4O2/c1-4-26(12-14-7-6-10-23-11-14)19(27)1 ...
Download InChI
Standard InChI Key UWMUPHRMONIRRW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336231

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
419.3 418.0963 4.88 6 60.25 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.64 3.9 3.9 3 28 0.57

Structural Alerts

There are no structural alerts for CHEMBL2336231

Compound Cross References

ChemSpider ChemSpider:UWMUPHRMONIRRW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336231



BindingDB 50429129
PubChem 71561753
PubChem: Thomson Pharma 163562087
ZINC ZINC000095591757

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