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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL143973
CHEMBL143973
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14N4O

Additional synonyms for CHEMBL143973 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(Oc1ccccc1c2cnccn2)C3=NCCN3
Standard InChI InChI=1S/C14H14N4O/c1-2-4-13(19-10-14-17-7-8-18-14)11(3-1)12 ...
Download InChI
Standard InChI Key IJLWJFGTCGYKBI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL143973

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
254.3 254.1168 1.52 4 59.4 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.74 1.4 -.44 2 19 0.9

Structural Alerts

There are no structural alerts for CHEMBL143973

Compound Cross References

ChemSpider ChemSpider:IJLWJFGTCGYKBI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL143973



BindingDB 50000218
Nikkaji J1.693.293K
PubChem 44362288
ZINC ZINC000013437816

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