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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL379379
CHEMBL379379
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H40Cl4N4O4

Additional synonyms for CHEMBL379379 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(CN(C2CCCC(CN(C(=O)Nc3ccccc3)c4cccc(OCCN5CCOCC5)c4)C ...
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Standard InChI InChI=1S/C35H40Cl4N4O4/c36-28-9-4-7-26(21-28)24-42(33(44)35( ...
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Standard InChI Key HOJJPFAVIQOXGJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL379379

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
722.5 720.1804 8.05 11 74.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.43 4.84 4.8 3 47 0.2

Structural Alerts

There are 5 structural alerts for CHEMBL379379. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HOJJPFAVIQOXGJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL379379



PubChem 44413018

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