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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2408697
CHEMBL2408697
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H22N4O6S

Additional synonyms for CHEMBL2408697 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC1Oc2ccccc2C(=O)/C/1=C/Nc3ccc(cc3)S(=O)(=O)Nc4ccc(OC)nn4
Standard InChI InChI=1S/C23H22N4O6S/c1-3-32-23-18(22(28)17-6-4-5-7-19(17)33 ...
Download InChI
Standard InChI Key MKYGOBOLRVMHFB-JXAWBTAJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2408697

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
482.5 482.126 3.22 8 128.74 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.1 3.13 1.76 .61 3 34 0.47

Structural Alerts

There are 4 structural alerts for CHEMBL2408697. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MKYGOBOLRVMHFB-JXAWBTAJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2408697



PubChem 72204322

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