ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL283255
CHEMBL283255
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H27F2N7O

Additional synonyms for CHEMBL283255 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1cccc2c1c3ncnc(N4CCN(CCc5ccc(F)c(F)c5)CC4)c3n2Cc6ccnc ...
Download SMILES
Standard InChI InChI=1S/C29H27F2N7O/c30-22-5-4-19(16-23(22)31)8-11-36-12-14 ...
Download InChI
Standard InChI Key BLIMNWSQDQYNMP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL283255

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
527.6 527.2245 3.77 7 93.17 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.72 3.49 3.43 5 39 0.35

Structural Alerts

There are no structural alerts for CHEMBL283255

Compound Cross References

ChemSpider ChemSpider:BLIMNWSQDQYNMP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL283255



BindingDB 50140846
PubChem 11168500
PubChem: Thomson Pharma 16248030
ZINC ZINC000028765847

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