ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2037209
CHEMBL2037209
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H23F3N6O2

Additional synonyms for CHEMBL2037209 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cn(cn1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(Nc4ccc5\C(=C\c6cc ...
Download SMILES
Standard InChI InChI=1S/C31H23F3N6O2/c1-18-16-40(17-36-18)25-11-19(10-20(12 ...
Download InChI
Standard InChI Key HAFMFNSFPWDDBC-VYYCAZPPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2037209

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
568.6 568.1835 7.02 6 103.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 2 8 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.61 5.56 5.57 5.56 5 42 0.17

Structural Alerts

There are 3 structural alerts for CHEMBL2037209. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HAFMFNSFPWDDBC-VYYCAZPPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2037209



BindingDB 50384725
PubChem 11621097
PubChem: Thomson Pharma 16723979
SureChEMBL SCHEMBL394069
ZINC ZINC000084671513

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