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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1411246
CHEMBL1411246
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H6N2S4Zn

Additional synonyms for CHEMBL1411246 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Zn+2].[S-]C(=S)NCCNC(=S)[S-]
Standard InChI InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8 ...
Download InChI
Standard InChI Key AMHNZOICSMBGDH-UHFFFAOYSA-L

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1411246

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
212.4 211.957 0.59 3 24.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 4 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.25 1.71 1.17 -3.58 0 10 0.31

Structural Alerts

There are 13 structural alerts for CHEMBL1411246. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AMHNZOICSMBGDH-UHFFFAOYSA-L
PubChem SID: 17389681 SID: 26757117 SID: 26757416

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1411246



ACToR 9006-42-2 12122-67-7
ChEBI 52498
ChemicalBook CB1497049
eMolecules 510317
EPA CompTox Dashboard DTXSID5021465
FDA SRS X1FSB1OZPT
Nikkaji J23.430C
PubChem 3032296 101815861 5284484
PubChem: Thomson Pharma 14775123
SureChEMBL SCHEMBL21691

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