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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2418738
CHEMBL2418738
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H25NO3

Additional synonyms for CHEMBL2418738 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2C[C@@H]3[C@@H]4C[C@@H](C)[C@H](O)[C@@H]5Oc1c2[C@]45C ...
Download SMILES
Standard InChI InChI=1S/C19H25NO3/c1-10-8-12-13-9-11-4-5-14(22-3)17-15(11)1 ...
Download InChI
Standard InChI Key HQHIVKNFSKYAOK-FGDXAMPGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2418738

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
315.4 315.1834 1.97 1 41.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.45 1.14 0 1 23 0.86

Structural Alerts

There are no structural alerts for CHEMBL2418738

Compound Cross References

ChemSpider ChemSpider:HQHIVKNFSKYAOK-FGDXAMPGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2418738



PubChem 71819400
SureChEMBL SCHEMBL16698668
ZINC ZINC000096910737

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