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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL423694
CHEMBL423694
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H30N2O2

Additional synonyms for CHEMBL423694 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C2CCNCC2)c3cccc(OC)c3
Standard InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23 ...
Download InChI
Standard InChI Key UWERJSHTOGBZDV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL423694

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
378.5 378.2307 4.36 6 41.57 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.4 2.97 .22 2 28 0.81

Structural Alerts

There are no structural alerts for CHEMBL423694

Compound Cross References

ChemSpider ChemSpider:UWERJSHTOGBZDV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL423694



BindingDB 50084244 50092706
IBM Patent System 7D84A60867A15A47D1EB2C60918D034E
Nikkaji J1.265.845A
PubChem 23435898
SureChEMBL SCHEMBL4927224
ZINC ZINC000013803498

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