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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1573297
CHEMBL1573297
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H9F3N8

Additional synonyms for CHEMBL1573297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1nnc2ccc(NCn3nnc4ccccc34)nn12
Standard InChI InChI=1S/C13H9F3N8/c14-13(15,16)12-20-19-11-6-5-10(21-24(11) ...
Download InChI
Standard InChI Key UGTWCHZZXZJXIF-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1573297

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
334.3 334.0902 1.96 3 85.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.51 3.22 3.22 4 24 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL1573297. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UGTWCHZZXZJXIF-UHFFFAOYSA-N
PubChem SID: 4240709

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1573297



eMolecules 6677286
Mcule MCULE-5955344337
MolPort MolPort-002-717-868
PubChem 687922
ZINC ZINC000000056294

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