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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1956192
CHEMBL1956192
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H13BrN2O

Additional synonyms for CHEMBL1956192 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Oc1ccccc1Br)C2=NCCN2
Standard InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10 ...
Download InChI
Standard InChI Key NFGYJBCMYUYKCI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1956192

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
269.1 268.0211 2.22 3 33.62 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.84 2.7 .83 1 15 0.91

Structural Alerts

There are 2 structural alerts for CHEMBL1956192. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NFGYJBCMYUYKCI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1956192



BindingDB 50419874
PubChem 57345626
PubChem: Thomson Pharma 136367116

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