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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL216769
CHEMBL216769
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H34FN7O4

Additional synonyms for CHEMBL216769 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCCN5CCC(C ...
Download SMILES
Standard InChI InChI=1S/C29H34FN7O4/c1-40-25-15-23-24(16-26(25)41-11-3-8-37 ...
Download InChI
Standard InChI Key JLBXEVHWZFQSBL-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL216769

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
563.6 563.2656 3.9 12 137.52 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 1 11 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.93 8.76 2.64 1.27 4 41 0.19

Structural Alerts

There are 1 structural alerts for CHEMBL216769. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JLBXEVHWZFQSBL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL216769



BindingDB 26274
IBM Patent System B864A6517677AAF3925EDD5F88A84F54
PubChem 10175096
PubChem: Thomson Pharma 15169169
SureChEMBL SCHEMBL3488241
ZINC ZINC000034803074

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