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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL434841
CHEMBL434841
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H40N2O7

Additional synonyms for CHEMBL434841 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@@H]1CC[C@H](CC1)C(=O)OCC2=C[C@H]3[C@@H](Cc4cn(C(C)C)c5c ...
Download SMILES
Standard InChI InChI=1S/C27H36N2O3.C4H4O4/c1-17(2)29-15-20-13-25-23(22-6-5- ...
Download InChI
Standard InChI Key WTLVFGCSJBJUQJ-OHRLZUCGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL434841

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
436.6 436.2726 4.85 5 43.7 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.27 3.78 3.54 2 32 0.5

Structural Alerts

There are 3 structural alerts for CHEMBL434841. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WTLVFGCSJBJUQJ-OHRLZUCGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL434841




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