ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333032
CHEMBL2333032
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16ClN3O3

Additional synonyms for CHEMBL2333032 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCNC(=O)N1C=C(Cl)C(=O)NC1=O
Standard InChI InChI=1S/C11H16ClN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)1 ...
Download InChI
Standard InChI Key MVWIGWIKOQYGRO-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333032

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
273.7 273.088 1.33 5 83.96 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.05 - 2.84 1.71 1 18 0.79

Structural Alerts

There are 4 structural alerts for CHEMBL2333032. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MVWIGWIKOQYGRO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333032



BindingDB 50431272
Brenda 205289 205288
PubChem 71718225
SureChEMBL SCHEMBL15539184
ZINC ZINC000095588127

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