ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3235050
CHEMBL3235050
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H42N4O4

Additional synonyms for CHEMBL3235050 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c2cc(nn2C)c3ccc(Oc4ccccc4)cc ...
Download SMILES
Standard InChI InChI=1S/C34H42N4O4/c1-5-8-22-41-33-24-29(40-23-12-21-38(6-2 ...
Download InChI
Standard InChI Key RBQFJWHBUCVSCF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3235050

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
570.7 570.3206 7.42 16 77.85 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.1 10.18 9.73 7.1 4 42 0.14

Structural Alerts

There are 2 structural alerts for CHEMBL3235050. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RBQFJWHBUCVSCF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3235050



BindingDB 50005630
PubChem 86304220
ZINC ZINC000169312784

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