ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL298474
CHEMBL298474
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H24N4O3

Additional synonyms for CHEMBL298474 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)C3CC4CC3C5OC45
Standard InChI InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24) ...
Download InChI
Standard InChI Key OQCJPFYWFGUHIN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL298474

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
344.4 344.1848 1.6 5 85.21 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.85 1.98 2.3 2.29 2 25 0.83

Structural Alerts

There are 7 structural alerts for CHEMBL298474. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OQCJPFYWFGUHIN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL298474



BindingDB 50058235
IBM Patent System DF216EE60E32CFD17519FD88DCD8A072
Nikkaji J720.711E
PubChem 9798222
PubChem: Thomson Pharma 14753911
SureChEMBL SCHEMBL1820858

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