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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL421574
CHEMBL421574
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H35N3O5

Additional synonyms for CHEMBL421574 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)C(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2cc ...
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Standard InChI InChI=1S/C26H35N3O5/c1-4-27-25(32)23(30)21(16-19-11-7-5-8-12 ...
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Standard InChI Key BPXWVGIUHNBIKO-AXWGZAFASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL421574

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
469.6 469.2577 2.55 12 116.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.17 - 4.88 4.88 2 34 0.38

Structural Alerts

There are 4 structural alerts for CHEMBL421574. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BPXWVGIUHNBIKO-AXWGZAFASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL421574



BindingDB 50040003
PubChem 44330979

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