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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL535600
CHEMBL535600
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H13ClN2O2

Additional synonyms for CHEMBL535600 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.[O-][N+](=O)c1ccc2C3CNCC(C3)c2c1
Standard InChI InChI=1S/C11H12N2O2.ClH/c14-13(15)9-1-2-10-7-3-8(6-12-5-7)11 ...
Download InChI
Standard InChI Key MNUYETBHIOAUGE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL535600

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
204.2 204.0899 1.77 1 55.17 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.69 1.91 -.32 1 15 0.56

Structural Alerts

There are 4 structural alerts for CHEMBL535600. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MNUYETBHIOAUGE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL535600



PubChem 9816190
PubChem: Thomson Pharma 14774045
SureChEMBL SCHEMBL4405952

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