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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1255907
CHEMBL1255907
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18N2O2

Additional synonyms for CHEMBL1255907 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(Nc1ccccc1)O[C@H]2CN3CCC2CC3
Standard InChI InChI=1S/C14H18N2O2/c17-14(15-12-4-2-1-3-5-12)18-13-10-16-8- ...
Download InChI
Standard InChI Key JEPJAGMRBZWMCT-ZDUSSCGKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1255907

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
246.3 246.1368 2.33 2 41.57 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
13.53 8.92 1.25 -.1 1 18 0.87

Structural Alerts

There are 1 structural alerts for CHEMBL1255907. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JEPJAGMRBZWMCT-ZDUSSCGKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1255907



BindingDB 50417094
IBM Patent System 4450A469C7BDB8CE1058F73AB8D7EE6D
Mcule MCULE-2813310774
PubChem 684225
PubChem: Thomson Pharma 103056020
SureChEMBL SCHEMBL373197
ZINC ZINC000000050682

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