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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336227
CHEMBL2336227
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H20Cl2N4O2

Additional synonyms for CHEMBL2336227 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N3CCCC3c4cccnc4
Standard InChI InChI=1S/C21H20Cl2N4O2/c1-13-18(20(28)27-11-5-8-16(27)14-6-4 ...
Download InChI
Standard InChI Key ULAOIKVMGZONFX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336227

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
431.3 430.0963 5.2 4 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
- 5.16 5.25 5.25 3 29 0.57

Structural Alerts

There are no structural alerts for CHEMBL2336227

Compound Cross References

ChemSpider ChemSpider:ULAOIKVMGZONFX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336227



BindingDB 50429133
PubChem 71561619
PubChem: Thomson Pharma 163561940

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