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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324205
CHEMBL2324205
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H42N8O8

Additional synonyms for CHEMBL2324205 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(= ...
Download SMILES
Standard InChI InChI=1S/C33H42N8O8/c34-24(13-14-28(43)44)29(45)39-26(17-19- ...
Download InChI
Standard InChI Key CMVUAWOMMQTCFN-FPCALVHFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324205

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
678.8 678.3126 -0.25 18 282.08 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 11 2 16 13 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.24 13.33 .89 -2.46 3 49 0.03

Structural Alerts

There are 12 structural alerts for CHEMBL2324205. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CMVUAWOMMQTCFN-FPCALVHFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324205



BindingDB 50427699
PubChem 71716848
ZINC ZINC000095584686

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