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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1807644
CHEMBL1807644
Compound Name NOTHOSPONDIN
ChEMBL Synonyms Nothospondin
Max Phase 0
Trade Names
Molecular Formula C21H28O7

Additional synonyms for CHEMBL1807644 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)[C@@H](O)[C@H]( ...
Download SMILES
Standard InChI InChI=1S/C21H28O7/c1-8-10-6-12-20(3)11(7-13(22)28-12)9(2)17( ...
Download InChI
Standard InChI Key CWVPFDLFQUVWQC-ZUEPXWORSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1807644

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
392.5 392.1835 1.01 1 110.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.33 - -1.03 -1.03 0 28 0.64

Structural Alerts

There are 4 structural alerts for CHEMBL1807644. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CWVPFDLFQUVWQC-ZUEPXWORSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1807644



BindingDB 50349193
PubChem 53363123
PubChem: Thomson Pharma 125266042
ZINC ZINC000072178163

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