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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2407989
CHEMBL2407989
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H32N4O4

Additional synonyms for CHEMBL2407989 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1cc(CN2CCN(CC2)c3ccc(cc3C)C(=O)NC)cc4NC(=O)C(C)Oc14
Standard InChI InChI=1S/C25H32N4O4/c1-5-32-22-14-18(13-20-23(22)33-17(3)24( ...
Download InChI
Standard InChI Key JSXWZGIORINZQT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2407989

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
452.6 452.2424 2.79 6 83.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.25 5.93 1.89 1.88 2 33 0.7

Structural Alerts

There are no structural alerts for CHEMBL2407989

Compound Cross References

ChemSpider ChemSpider:JSXWZGIORINZQT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2407989



BindingDB 50438232
IBM Patent System 75F649C17E59CCF55D1461D8A1DB79A8
PubChem 66716932
SureChEMBL SCHEMBL532166

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