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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL119927
CHEMBL119927
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25N5O2

Additional synonyms for CHEMBL119927 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c4ccccc4C#N)cc12
Standard InChI InChI=1S/C23H25N5O2/c24-8-7-18-15-26-21-6-5-19(13-20(18)21)3 ...
Download InChI
Standard InChI Key GDPQCZJZKFQSEA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL119927

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
403.5 403.2008 2.27 6 98.38 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.45 1.59 -.56 3 30 0.66

Structural Alerts

There are no structural alerts for CHEMBL119927

Compound Cross References

ChemSpider ChemSpider:GDPQCZJZKFQSEA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL119927



BindingDB 50033434
Nikkaji J696.618G
PubChem 10408880
PubChem: Thomson Pharma 15426400
SureChEMBL SCHEMBL1389152
ZINC ZINC000003810254

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