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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1467585
CHEMBL1467585
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H18ClNO2

Additional synonyms for CHEMBL1467585 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Standard InChI InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(1 ...
Download InChI
Standard InChI Key YEWHJCLOUYPAOH-PFEQFJNWSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1467585

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
255.3 255.1259 2.38 1 52.49 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.13 9.65 2.03 -.23 2 19 0.69

Structural Alerts

There are 2 structural alerts for CHEMBL1467585. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YEWHJCLOUYPAOH-PFEQFJNWSA-N
PubChem SID: 11532861

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1467585



eMolecules 11309690
EPA CompTox Dashboard DTXSID20425872
FDA SRS 259QB42AEB
PubChem 6852375
SureChEMBL SCHEMBL7201396

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