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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL210288
CHEMBL210288
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H13F3N2O

Additional synonyms for CHEMBL210288 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1cccc(c1)\N=C/2\C(=O)N(c3ccccc3)c4ccccc24
Standard InChI InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17 ...
Download InChI
Standard InChI Key TXCGMRVPXUBHAL-NCELDCMTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL210288

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
366.3 366.098 5.23 3 32.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.27 5.27 3 27 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL210288. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TXCGMRVPXUBHAL-NCELDCMTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL210288



BindingDB 50187923
Nikkaji J2.266.579K
PubChem: Drugs of the Future 49684246
PubChem: Thomson Pharma 16757015
SureChEMBL SCHEMBL8273294
ZINC ZINC000001383149

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