ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215495
CHEMBL215495
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H32FN7O3

Additional synonyms for CHEMBL215495 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1
Standard InChI InChI=1S/C27H32FN7O3/c1-2-9-35(11-12-36)10-4-13-38-22-7-8-23 ...
Download InChI
Standard InChI Key XQWUFPUUHVVAIM-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL215495

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
521.6 521.2551 3.89 14 128.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 1 10 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.07 8.46 3.9 2.8 4 38 0.18

Structural Alerts

There are 2 structural alerts for CHEMBL215495. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XQWUFPUUHVVAIM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215495



BindingDB 26301
IBM Patent System E150F0826CF3996AD8F6ADC7EBEBE9DD
PubChem 16221393
PubChem: Thomson Pharma 24903885
SureChEMBL SCHEMBL3490980
ZINC ZINC000034803023

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