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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279822
CHEMBL279822
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H36N6O3

Additional synonyms for CHEMBL279822 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc3c[n ...
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Standard InChI InChI=1S/C29H36N6O3/c1-18(36)32-26(15-20-17-31-24-13-9-7-11- ...
Download InChI
Standard InChI Key WWVOLAXACGYVCQ-CLJLJLNGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL279822

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
516.7 516.2849 2.84 10 122.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 5 1 9 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.62 3.2 2.78 4 38 0.21

Structural Alerts

There are 6 structural alerts for CHEMBL279822. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WWVOLAXACGYVCQ-CLJLJLNGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279822



BindingDB 50125894
PubChem 10918326
PubChem: Thomson Pharma 15968222
ZINC ZINC000013493976

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