ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420832
CHEMBL2420832
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13Cl2N3O2

Additional synonyms for CHEMBL2420832 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
Standard InChI InChI=1S/C15H13Cl2N3O2/c1-2-13(21)20-12-8-9(6-7-18-12)19-15( ...
Download InChI
Standard InChI Key CEJFWHOOEUEYOE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420832

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
338.2 337.0385 3.99 4 71.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.46 3.83 2.66 2.66 2 22 0.89

Structural Alerts

There are no structural alerts for CHEMBL2420832

Compound Cross References

ChemSpider ChemSpider:CEJFWHOOEUEYOE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420832



BindingDB 50439016
IBM Patent System F5158AF18F0019FDA999BC6736EF5D2D
PubChem 59618513
SureChEMBL SCHEMBL3514246
ZINC ZINC000096282836

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