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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL87910
CHEMBL87910
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H19NO3

Additional synonyms for CHEMBL87910 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC[C@@H]1OC(Cc2ccccc2)Cc3c(O)c(O)ccc13
Standard InChI InChI=1S/C17H19NO3/c18-10-16-13-6-7-15(19)17(20)14(13)9-12(2 ...
Download InChI
Standard InChI Key XVBBSQGJSIEXFQ-INSVYWFGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL87910

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
285.3 285.1365 2.28 3 75.71 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.57 9.12 1.82 .13 2 21 0.76

Structural Alerts

There are 2 structural alerts for CHEMBL87910. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XVBBSQGJSIEXFQ-INSVYWFGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL87910



BindingDB 50007150
PubChem 44320076

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