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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2037208
CHEMBL2037208
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H19F3N4O2

Additional synonyms for CHEMBL2037208 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(Nc3ccc4\C(=C\c5ccc[nH]5)\C(=O ...
Download SMILES
Standard InChI InChI=1S/C27H19F3N4O2/c28-27(29,30)17-5-1-4-16(12-17)25(35)3 ...
Download InChI
Standard InChI Key HMMBZLXOFKQWRQ-UCQKPKSFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2037208

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
488.5 488.146 6.52 5 86.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 4 1 6 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.69 .3 5.39 5.39 4 36 0.24

Structural Alerts

There are 3 structural alerts for CHEMBL2037208. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HMMBZLXOFKQWRQ-UCQKPKSFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2037208



BindingDB 50384726
PubChem 11705812
PubChem: Thomson Pharma 16810496
SureChEMBL SCHEMBL397832
ZINC ZINC000084671512

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