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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL409010
CHEMBL409010
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H22N4O2

Additional synonyms for CHEMBL409010 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1N[C@@H](C[C@H]1C(=O)N(C)C)C(=O)N2CCC[C@H]2C#N
Standard InChI InChI=1S/C14H22N4O2/c1-9-11(13(19)17(2)3)7-12(16-9)14(20)18- ...
Download InChI
Standard InChI Key SWPBVLLEPCHDKU-KXNHARMFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL409010

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 2 76.44 BASE


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
- 8.73 1.16 -.08 0 20 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL409010. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SWPBVLLEPCHDKU-KXNHARMFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL409010



BindingDB 50375034
PubChem 44452030
ZINC ZINC000029123177

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