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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1570188
CHEMBL1570188
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H12BrN3O3

Additional synonyms for CHEMBL1570188 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Brc1ccc(OCC(=O)ONC(=N)c2ccncc2)cc1
Standard InChI InChI=1S/C14H12BrN3O3/c15-11-1-3-12(4-2-11)20-9-13(19)21-18- ...
Download InChI
Standard InChI Key QUUZFORDYIZFKC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1570188

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
350.2 349.0062 2.3 4 84.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.84 2.17 2.17 2 21 0.5

Structural Alerts

There are 13 structural alerts for CHEMBL1570188. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QUUZFORDYIZFKC-UHFFFAOYSA-N
PubChem SID: 22416785

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1570188



BindingDB 90314
eMolecules 25899540
Mcule MCULE-6808605301
MolPort MolPort-002-183-652
PubChem 5728769 2885265 5348050
ZINC ZINC000004318693

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