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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL294262
CHEMBL294262
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H60N12O8

Additional synonyms for CHEMBL294262 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O) ...
Download SMILES
Standard InChI InChI=1S/C43H60N12O8/c1-4-25(2)24-50-39(61)32(11-7-19-48-42( ...
Download InChI
Standard InChI Key UWAQSJWJCXAOOI-LPRIMMJDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL294262

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
873 872.4657 0.34 25 340.7 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 11 2 20 15 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.19 13.36 2.63 -.87 3 63 0.03

Structural Alerts

There are 5 structural alerts for CHEMBL294262. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UWAQSJWJCXAOOI-LPRIMMJDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL294262



BindingDB 50091748
PubChem 44301645
ZINC ZINC000150587654

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