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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL565560
CHEMBL565560
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12BrN5O2

Additional synonyms for CHEMBL565560 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1ncn2c1Cn3ncnc3c4cc(Br)ccc24
Standard InChI InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21 ...
Download InChI
Standard InChI Key MCLMDSQSSOOSRY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL565560

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
374.2 373.0174 2.43 2 74.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.51 3.47 3.47 3 23 0.5

Structural Alerts

There are 3 structural alerts for CHEMBL565560. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MCLMDSQSSOOSRY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL565560



BindingDB 50378518
IBM Patent System 7F1FAE411300306908AFEBAB06177F97
PubChem 11675177
PubChem: Thomson Pharma 16779185
SureChEMBL SCHEMBL3569265
ZINC ZINC000038224769

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