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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1575026
CHEMBL1575026
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H13N3O3S

Additional synonyms for CHEMBL1575026 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CCN1C(=O)Oc2ccccc12)NC3=NCCS3
Standard InChI InChI=1S/C13H13N3O3S/c17-11(15-12-14-6-8-20-12)5-7-16-9-3-1- ...
Download InChI
Standard InChI Key WOZJKNCFIBIRNS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1575026

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
291.3 291.0678 1.2 3 76.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.43 4.89 1.45 1.45 2 20 0.92

Structural Alerts

There are no structural alerts for CHEMBL1575026

Compound Cross References

ChemSpider ChemSpider:WOZJKNCFIBIRNS-UHFFFAOYSA-N
PubChem SID: 4247283

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1575026



eMolecules 1543196
Mcule MCULE-2596961542
MolPort MolPort-000-486-908
PubChem 3163775
ZINC ZINC000004143802

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