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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19396
CHEMBL19396
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25NO8

Additional synonyms for CHEMBL19396 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCC23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC6OC(=CC( ...
Download SMILES
Standard InChI InChI=1S/C23H25NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26) ...
Download InChI
Standard InChI Key KVOGNGMWSRNULU-XXWPFZIQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL19396

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
443.5 443.158 0.27 3 128.92 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.76 8.08 .84 -1.78 1 32 0.49

Structural Alerts

There are 3 structural alerts for CHEMBL19396. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KVOGNGMWSRNULU-XXWPFZIQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19396



BindingDB 50125680
PubChem 44272612

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