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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL239936
CHEMBL239936
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18N4O3

Additional synonyms for CHEMBL239936 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOCN1C(=C(CNc2ccccn2)C(=O)NC1=O)C
Standard InChI InChI=1S/C14H18N4O3/c1-3-21-9-18-10(2)11(13(19)17-14(18)20)8 ...
Download InChI
Standard InChI Key STCWUUJWGPWRLB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL239936

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
290.3 290.1379 0.85 6 89.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.13 5.86 .99 .97 2 21 0.82

Structural Alerts

There are 1 structural alerts for CHEMBL239936. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:STCWUUJWGPWRLB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL239936



PubChem 44436381
ZINC ZINC000028866817

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