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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL302715
CHEMBL302715
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14N2O3S

Additional synonyms for CHEMBL302715 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2
Standard InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16- ...
Download InChI
Standard InChI Key CZKNSZUJCJHTTM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL302715

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
290.3 290.0725 1.33 4 97.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.8 - 1.01 1.01 2 20 0.89

Structural Alerts

There are no structural alerts for CHEMBL302715

Compound Cross References

ChemSpider ChemSpider:CZKNSZUJCJHTTM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL302715



BindingDB 12013
DrugBank DB01748
eMolecules 30705715
EPA CompTox Dashboard DTXSID80274429
IBM Patent System DBF72FD2F3D0C83927E2E0D58A59D99A
Mcule MCULE-1382374853
MolPort MolPort-004-614-705
Nikkaji J598.933G
PDBe BSB
PubChem 4347
PubChem: Thomson Pharma 14998021
SureChEMBL SCHEMBL678390
ZINC ZINC000000403946

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