ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2179073
CHEMBL2179073
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H28Cl2N4O

Additional synonyms for CHEMBL2179073 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCOc1cccc(Nc2nc(cc(n2)c3ccc(Cl)cc3)c4ccc(Cl)cc4)c1
Standard InChI InChI=1S/C28H28Cl2N4O/c1-3-34(4-2)16-17-35-25-7-5-6-24(18-25 ...
Download InChI
Standard InChI Key YFDRYCDHDMZGBD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2179073

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
507.5 506.164 7.58 10 50.28 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 2 5 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.59 7.92 5.77 4 35 0.24

Structural Alerts

There are no structural alerts for CHEMBL2179073

Compound Cross References

ChemSpider ChemSpider:YFDRYCDHDMZGBD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2179073



BindingDB 50397836
PubChem 71453726
PubChem: Thomson Pharma 163472521
SureChEMBL SCHEMBL18304247
ZINC ZINC000095573366

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