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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL367966
CHEMBL367966
Compound Name
ChEMBL Synonyms OL-92
Max Phase 0
Trade Names
Molecular Formula C19H20N2O2

Additional synonyms for CHEMBL367966 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CCCCCCc1ccccc1)c2oc3cccnc3n2
Standard InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)1 ...
Download InChI
Standard InChI Key OVFUWDCWLWBDJD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL367966

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
308.4 308.1525 4.6 8 55.99 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.17 5.17 3 23 0.45

Structural Alerts

There are 7 structural alerts for CHEMBL367966. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OVFUWDCWLWBDJD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL367966



BindingDB 23316
Brenda 69971
IBM Patent System 5696CEE46B346FDE09B57703D64CCA0A
PubChem 11150976
PubChem: Thomson Pharma 16229690
SureChEMBL SCHEMBL3964425

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