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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL234163
CHEMBL234163
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H22N4O2

Additional synonyms for CHEMBL234163 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(C)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N2CCC[C@H]2C#N
Standard InChI InChI=1S/C14H22N4O2/c1-3-17(2)13(19)10-7-12(16-9-10)14(20)18 ...
Download InChI
Standard InChI Key HUYOEFVNKFTLQH-SRVKXCTJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL234163

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
278.4 278.1743 -0.04 3 76.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.46 1.13 .16 0 20 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL234163. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HUYOEFVNKFTLQH-SRVKXCTJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL234163



BindingDB 50205210
Brenda 36791
PubChem 11448828
PubChem: Thomson Pharma 16547627
ZINC ZINC000028816266

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