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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2402924
CHEMBL2402924
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H25N3O7S

Additional synonyms for CHEMBL2402924 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [NH4+].NC(=O)c1cccc(c1)c2cc(OC(=O)NC3CCCCC3)ccc2OS(=O)(=O)[O ...
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Standard InChI InChI=1S/C20H22N2O7S.H3N/c21-19(23)14-6-4-5-13(11-14)17-12-1 ...
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Standard InChI Key WRFVTDLIVCQRIB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2402924

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
434.5 434.1148 3.06 6 145.02 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-4.2 - 1.78 -1.72 2 30 0.59

Structural Alerts

There are 6 structural alerts for CHEMBL2402924. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WRFVTDLIVCQRIB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2402924



PubChem 73355073 71762765

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