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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1290072
CHEMBL1290072
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H16N2O2

Additional synonyms for CHEMBL1290072 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Standard InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20 ...
Download InChI
Standard InChI Key MNMQBQOLMHVBJT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1290072

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
304.4 304.1212 4.6 4 47.29 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.88 4.13 4.02 4 23 0.6

Structural Alerts

There are no structural alerts for CHEMBL1290072

Compound Cross References

ChemSpider ChemSpider:MNMQBQOLMHVBJT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1290072



BindingDB 50331612
PubChem 50908681
PubChem: Thomson Pharma 111327421
ZINC ZINC000064559365

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