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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1405074
CHEMBL1405074
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H17NO

Additional synonyms for CHEMBL1405074 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(C)Cc1ccc(OC)cc1
Standard InChI InChI=1S/C11H17NO/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,1 ...
Download InChI
Standard InChI Key UGFMBZYKVQSQFX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1405074

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
179.3 179.131 1.85 4 21.26 BASE


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
- 10.53 2.09 -.72 1 13 0.76

Structural Alerts

There are no structural alerts for CHEMBL1405074

Compound Cross References

ChemSpider ChemSpider:UGFMBZYKVQSQFX-UHFFFAOYSA-N
PubChem SID: 29217581

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1405074



ACToR 22331-70-0
eMolecules 977679
EPA CompTox Dashboard DTXSID30874251
IBM Patent System 41436AA2D2C5C61C57BC4048E057E8D6
Mcule MCULE-6915045152
Nikkaji J50.049F
PubChem 90766
PubChem: Thomson Pharma 16747291
SureChEMBL SCHEMBL178622

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