ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL484505
CHEMBL484505
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H23Cl3N4O

Additional synonyms for CHEMBL484505 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(Cl)ccc1c2c(C)c(nn2c3ccc(Cl)cc3Cl)C(=O)NN4CCCCC4
Standard InChI InChI=1S/C23H23Cl3N4O/c1-14-12-16(24)6-8-18(14)22-15(2)21(23 ...
Download InChI
Standard InChI Key NHJBBYUELQWHJS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL484505

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
477.8 476.0937 6.25 4 50.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.31 3.22 5.41 5.41 3 31 0.48

Structural Alerts

There are 2 structural alerts for CHEMBL484505. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NHJBBYUELQWHJS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL484505



BindingDB 50271287
PubChem 24881411
PubChem: Thomson Pharma 50137082
ZINC ZINC000040411085

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