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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2418739
CHEMBL2418739
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H23NO3

Additional synonyms for CHEMBL2418739 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]([C@H]1O)[C@]2(CCN3C) ...
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Standard InChI InChI=1S/C18H23NO3/c1-9-7-11-12-8-10-3-4-13(20)16-14(10)18(1 ...
Download InChI
Standard InChI Key DSQWJPSUVUVXPZ-CHBFXNIQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2418739

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
301.4 301.1678 1.67 0 52.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.56 8.46 .62 -.41 1 22 0.77

Structural Alerts

There are no structural alerts for CHEMBL2418739

Compound Cross References

ChemSpider ChemSpider:DSQWJPSUVUVXPZ-CHBFXNIQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2418739



PubChem 71819401
SureChEMBL SCHEMBL16698289
ZINC ZINC000096910738

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