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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7146
CHEMBL7146
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H17N3O4S2

Additional synonyms for CHEMBL7146 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1)S(=O)(=O)NCCc2ccc(cc2)S(=O)(=O)N
Standard InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9- ...
Download InChI
Standard InChI Key WODATDPNMUWSHD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7146

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
355.4 355.066 0.44 6 132.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.14 2.2 .3 .29 2 23 0.65

Structural Alerts

There are 4 structural alerts for CHEMBL7146. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WODATDPNMUWSHD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7146



BindingDB 10872
Brenda 4432 63501 151964 67006 75667
EPA CompTox Dashboard DTXSID60433956
IBM Patent System E5850E2C5F994AD8BC67C0146DCC254D
Nikkaji J2.010.357D
PubChem 9998322
PubChem: Thomson Pharma 14977860
SureChEMBL SCHEMBL13030968

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