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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL287249
CHEMBL287249
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H10BrN3O

Additional synonyms for CHEMBL287249 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=NC(=C(Br)C1=O)c2ccccc2)N
Standard InChI InChI=1S/C11H10BrN3O/c1-15-10(16)8(12)9(14-11(15)13)7-5-3-2- ...
Download InChI
Standard InChI Key YXYJPNKWKVAIHX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL287249

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
280.1 279.0007 1.79 1 60.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.5 1.85 1.85 2 16 0.87

Structural Alerts

There are 2 structural alerts for CHEMBL287249. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YXYJPNKWKVAIHX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL287249



BindingDB 50143062
IBM Patent System B4BDF4003B72194333C3941C8BA0A433
PubChem 13636827
SureChEMBL SCHEMBL10841723
ZINC ZINC000029252078

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