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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2408705
CHEMBL2408705
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H20N4O5S2

Additional synonyms for CHEMBL2408705 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC1Oc2ccccc2C(=O)/C/1=C/Nc3ccc(cc3)S(=O)(=O)Nc4nnc(C)s4
Standard InChI InChI=1S/C21H20N4O5S2/c1-3-29-20-17(19(26)16-6-4-5-7-18(16)3 ...
Download InChI
Standard InChI Key APIHEIVEMHVHFH-ATVHPVEESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2408705

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
472.6 472.0875 3.58 7 119.51 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.42 - 2.3 .41 3 32 0.5

Structural Alerts

There are 4 structural alerts for CHEMBL2408705. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:APIHEIVEMHVHFH-ATVHPVEESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2408705



PubChem 72204319

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