ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL56045
CHEMBL56045
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H44Cl2N4

Additional synonyms for CHEMBL56045 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cn1)C2CC3CCC2N3CCCCCCCCCCN4C5CCC4C(C5)c6ccc(Cl)nc6
Standard InChI InChI=1S/C32H44Cl2N4/c33-31-15-9-23(21-35-31)27-19-25-11-13- ...
Download InChI
Standard InChI Key UHAHXGLMAJNEAR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL56045

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
555.6 554.2943 8.25 13 32.26 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.64 8.01 3.93 2 38 0.18

Structural Alerts

There are 13 structural alerts for CHEMBL56045. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UHAHXGLMAJNEAR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL56045



BindingDB 50452055
PubChem 44298008

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