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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL159620
CHEMBL159620
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H13NO3

Additional synonyms for CHEMBL159620 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CCN)cc2OCOc12
Standard InChI InChI=1S/C10H13NO3/c1-12-8-4-7(2-3-11)5-9-10(8)14-6-13-9/h4- ...
Download InChI
Standard InChI Key ORXQUAPZHKCCAX-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL159620

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
195.2 195.0895 1.01 3 53.71 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.62 .82 -1.35 1 14 0.78

Structural Alerts

There are no structural alerts for CHEMBL159620

Compound Cross References

ChemSpider ChemSpider:ORXQUAPZHKCCAX-UHFFFAOYSA-N
Wikipedia Lophophine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL159620



ACToR 23693-38-1
eMolecules 977551
EPA CompTox Dashboard DTXSID80178357
FDA SRS C68IB79RC2
IBM Patent System 5AE137350104C7B673AF85D8B861D7EE
Mcule MCULE-8942586750
MolPort MolPort-001-784-691
Nikkaji J242.649H
PubChem 90239
SureChEMBL SCHEMBL1043816

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