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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1407826
CHEMBL1407826
Compound Name DAZOMET
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H10N2S2

Additional synonyms for CHEMBL1407826 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CSC(=S)N(C)C1
Standard InChI InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3
Standard InChI Key QAYICIQNSGETAS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1407826

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
162.3 162.0285 0.8 0 6.48 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.04 .64 .64 0 9 0.49

Structural Alerts

There are 3 structural alerts for CHEMBL1407826. To view alerts please click here.

Compound Cross References

HRAC Z - UNKNOWN
Z4 - OTHER
Z45 - DAZOMET
ChemSpider ChemSpider:QAYICIQNSGETAS-UHFFFAOYSA-N
PubChem SID: 144208434 SID: 144211307 SID: 17389072 SID: 7976210 SID: 84986994

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1407826



ACToR 533-74-4
ChEBI 75212
ChemicalBook CB6243593
eMolecules 509691
EPA CompTox Dashboard DTXSID7024902
FDA SRS S7419CG4W5
IBM Patent System F322AE4D8A6FE0FA8270807A9B20E8D4
KEGG Ligand C18457
Mcule MCULE-5198790230
MolPort MolPort-001-832-799
Nikkaji J52.302J
PubChem 10788
PubChem: Thomson Pharma 14992365
SureChEMBL SCHEMBL21382
ZINC ZINC000019300079

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