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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL309424
CHEMBL309424
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H28N2O5

Additional synonyms for CHEMBL309424 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H]2Cc3ccccc3C4CCC[C@@H](N4C2=O)C ...
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Standard InChI InChI=1S/C25H28N2O5/c28-23-20(26-19(24(29)30)14-13-16-7-2-1- ...
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Standard InChI Key MFPBDCIKVMSRDU-ICOBXAEASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL309424

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
436.5 436.1998 2.79 7 106.94 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.13 8.04 6.43 2.52 2 32 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL309424. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MFPBDCIKVMSRDU-ICOBXAEASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL309424



BindingDB 50044868
PubChem 44317668

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