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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL366327
CHEMBL366327
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H12N2O2

Additional synonyms for CHEMBL366327 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc2cc(ccc2n1)C3OCCO3
Standard InChI InChI=1S/C12H12N2O2/c13-11-4-2-8-7-9(1-3-10(8)14-11)12-15-5- ...
Download InChI
Standard InChI Key SDBWCDHRWIANND-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL366327

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
216.2 216.0899 1.5 1 57.37 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
- 6.5 1.03 .98 2 16 0.78

Structural Alerts

There are 2 structural alerts for CHEMBL366327. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SDBWCDHRWIANND-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL366327



BindingDB 50154587
Nikkaji J2.222.020I
PubChem 11287377
PubChem: Thomson Pharma 16374606

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