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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1318110
CHEMBL1318110
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21NO3

Additional synonyms for CHEMBL1318110 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC1=CC=C2[C@H]3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45
Standard InChI InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-1 ...
Download InChI
Standard InChI Key FQXXSQDCDRQNQE-WRGHYRGKSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1318110

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
311.4 311.1521 2.42 2 30.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.46 -.34 -.67 1 23 0.84

Structural Alerts

There are 1 structural alerts for CHEMBL1318110. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FQXXSQDCDRQNQE-WRGHYRGKSA-N
PubChem SID: 85271846

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1318110



IBM Patent System F8A4C1CDC4CE7A7976397614E8E487F7
PubChem 5321926
SureChEMBL SCHEMBL3122741

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