ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL430669
CHEMBL430669
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H32ClFN4O

Additional synonyms for CHEMBL430669 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C2CC(N3CCN(CCN4CCN(C4=O)c5ccccc5)CC3)c6ccc(Cl)cc2 ...
Download SMILES
Standard InChI InChI=1S/C30H32ClFN4O/c31-23-8-11-26-28(20-23)27(22-6-9-24(3 ...
Download InChI
Standard InChI Key IYXNMOCEVXJKKO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL430669

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
519.1 518.2249 5.62 6 30.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 2 5 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.91 3.92 3.6 3 37 0.42

Structural Alerts

There are no structural alerts for CHEMBL430669

Compound Cross References

ChemSpider ChemSpider:IYXNMOCEVXJKKO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL430669



BindingDB 50368672
PubChem 15653116

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