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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL286591
CHEMBL286591
Compound Name
ChEMBL Synonyms SNAP-1069
Max Phase 0
Trade Names
Molecular Formula C22H26N2O2

Additional synonyms for CHEMBL286591 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CCCN1CCC(CC1)NC(=O)c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C22H26N2O2/c25-21(18-8-3-1-4-9-18)12-7-15-24-16-13- ...
Download InChI
Standard InChI Key VVSOHUNZJUMVHS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL286591

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
350.5 350.1994 3.54 7 49.41 NEUTRAL


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
- 8.4 2.54 1.57 2 26 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL286591. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VVSOHUNZJUMVHS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL286591



IBM Patent System D6419C7081BD12141A1B54D31A93C692
Nikkaji J751.651G
PubChem 10089254
PubChem: Thomson Pharma 15076268
SureChEMBL SCHEMBL6663300

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