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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571116
CHEMBL1571116
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15NO

Additional synonyms for CHEMBL1571116 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(Cc1ccccc1)N2CCc3ccccc23
Standard InChI InChI=1S/C16H15NO/c18-16(12-13-6-2-1-3-7-13)17-11-10-14-8-4- ...
Download InChI
Standard InChI Key YIZXFZVLAQOAOS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1571116

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
237.3 237.1154 2.82 2 20.31 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.12 3.26 3.26 2 18 0.79

Structural Alerts

There are no structural alerts for CHEMBL1571116

Compound Cross References

ChemSpider ChemSpider:YIZXFZVLAQOAOS-UHFFFAOYSA-N
PubChem SID: 14738266

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571116



eMolecules 2570873
Mcule MCULE-8379936193
MolPort MolPort-002-973-827
PubChem 740883
SureChEMBL SCHEMBL14156333
ZINC ZINC000000178514

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