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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200471
CHEMBL1200471
Compound Name PYRITHIONE ZINC
ChEMBL Synonyms HEAD &SHOULDERS CONDITIONER
Max Phase 0
Trade Names
Molecular Formula C10H8N2O2S2Zn

Additional synonyms for CHEMBL1200471 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Zn+2].[O-][n+]1ccccc1[S-].[O-][n+]2ccccc2[S-]
Standard InChI InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/ ...
Download InChI
Standard InChI Key OTPSWLRZXRHDNX-UHFFFAOYSA-L

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1200471

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
127.2 127.0092 0.61 0 26.94 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.41 - -.92 -3.1 1 8 0.31

Structural Alerts

There are 7 structural alerts for CHEMBL1200471. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OTPSWLRZXRHDNX-UHFFFAOYSA-L
PubChem SID: 124894315 SID: 144204733 SID: 144206950 SID: 144209378 SID: 144213522 SID: 17388662 SID: 549709
Wikipedia Zinc_pyrithione

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200471



ACToR 13463-41-7 109702-19-4
ChEBI 32076
ChemicalBook CB6456070
eMolecules 6877416 3717344
FDA SRS R953O2RHZ5
Guide to Pharmacology 2597
MolPort MolPort-023-220-327 MolPort-028-744-347
Nikkaji J136.560F
PubChem 26041 415267
PubChem: Thomson Pharma 14874585
SureChEMBL SCHEMBL40083

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