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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL315468
CHEMBL315468
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H17NO3

Additional synonyms for CHEMBL315468 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c3ccccc3
Standard InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20 ...
Download InChI
Standard InChI Key SUHGRZPINGKYNV-LOACHALJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL315468

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
271.3 271.1208 2.04 2 75.7 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
9.49 9.12 1.18 -.52 2 20 0.73

Structural Alerts

There are 2 structural alerts for CHEMBL315468. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SUHGRZPINGKYNV-LOACHALJSA-N
Wikipedia A-68930

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL315468



BindingDB 50007134
PubChem 14809027

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