ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1472371
CHEMBL1472371
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H11ClF3N3O2

Additional synonyms for CHEMBL1472371 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)COc1ccc(cn1)C(=O)NC(=N)c2ccc(Cl)cc2
Standard InChI InChI=1S/C15H11ClF3N3O2/c16-11-4-1-9(2-5-11)13(20)22-14(23)1 ...
Download InChI
Standard InChI Key UGZUHDOTBSPJRC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1472371

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
357.7 357.0492 3.43 4 75.07 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.17 2.1 4.33 4.33 2 24 0.65

Structural Alerts

There are 6 structural alerts for CHEMBL1472371. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UGZUHDOTBSPJRC-UHFFFAOYSA-N
PubChem SID: 26730584

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1472371



eMolecules 5791596
Mcule MCULE-7282012547
MolPort MolPort-002-926-566
PubChem 2746683
ZINC ZINC000015924040

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