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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2407978
CHEMBL2407978
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H30N4O4

Additional synonyms for CHEMBL2407978 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)c1ccc(cc1)N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OC)c3)CC2
Standard InChI InChI=1S/C24H30N4O4/c1-4-25-24(30)18-5-7-19(8-6-18)28-11-9-2 ...
Download InChI
Standard InChI Key QDUAZTRDSVEUIJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2407978

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
438.5 438.2267 2.49 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
12.22 5.88 1.49 1.48 2 32 0.72

Structural Alerts

There are no structural alerts for CHEMBL2407978

Compound Cross References

ChemSpider ChemSpider:QDUAZTRDSVEUIJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2407978



BindingDB 50438263
PubChem 66717080
SureChEMBL SCHEMBL532535

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