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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1443402
CHEMBL1443402
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H8N2O2S

Additional synonyms for CHEMBL1443402 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(Nc1nccs1)Oc2ccccc2
Standard InChI InChI=1S/C10H8N2O2S/c13-10(12-9-11-6-7-15-9)14-8-4-2-1-3-5-8 ...
Download InChI
Standard InChI Key CXVVRXLSXHPYDR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1443402

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
220.3 220.0306 2.75 2 51.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.75 2.57 2.08 .09 2 15 0.85

Structural Alerts

There are 3 structural alerts for CHEMBL1443402. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CXVVRXLSXHPYDR-UHFFFAOYSA-N
PubChem SID: 848697

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1443402



eMolecules 1319453
EPA CompTox Dashboard DTXSID70349519
IBM Patent System 62178351CC3A025A31B063E7BD6DEFB6
Mcule MCULE-4918032482
MolPort MolPort-001-958-324
PubChem 651148
SureChEMBL SCHEMBL145495
ZINC ZINC000000134806

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