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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425175
CHEMBL2425175
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H17NO

Additional synonyms for CHEMBL2425175 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCCCn1c2ccccc2c3ccccc13
Standard InChI InChI=1S/C16H17NO/c18-12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4 ...
Download InChI
Standard InChI Key AAYHPNFUILQYNU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425175

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
239.3 239.131 3.57 4 25.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.86 3.86 3 18 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL2425175. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AAYHPNFUILQYNU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425175



IBM Patent System DAA56DF8CDF8D112BC9750A1B424E52D
PubChem 43509865
SureChEMBL SCHEMBL2873004
ZINC ZINC000035650093

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