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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL325745
CHEMBL325745
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18N4O

Additional synonyms for CHEMBL325745 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCNC(=O)c1ccccc1NCc2c[nH]cn2
Standard InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11- ...
Download InChI
Standard InChI Key JFEAROLAZKGICP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL325745

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
258.3 258.1481 2.16 6 69.81 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.89 6.32 1.76 1.65 2 19 0.74

Structural Alerts

There are no structural alerts for CHEMBL325745

Compound Cross References

ChemSpider ChemSpider:JFEAROLAZKGICP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL325745



BindingDB 50421576
Nikkaji J1.825.154J
PubChem 44343247
ZINC ZINC000013860601

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