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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1569524
CHEMBL1569524
Compound Name DIMETHOATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H12NO3PS2

Additional synonyms for CHEMBL1569524 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)CSP(=S)(OC)OC
Standard InChI InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3, ...
Download InChI
Standard InChI Key MCWXGJITAZMZEV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1569524

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
229.3 228.9996 0.98 5 47.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.37 1.37 0 12 0.71

Structural Alerts

There are 6 structural alerts for CHEMBL1569524. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B17 - DIMETHOATE
ChemSpider ChemSpider:MCWXGJITAZMZEV-UHFFFAOYSA-N
PubChem SID: 144209444 SID: 144211478 SID: 26747707 SID: 26753684 SID: 26753685 SID: 93576770

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1569524



ACToR 60-51-5 11003-53-5
Brenda 29947
ChEBI 34714
eMolecules 502049
EPA CompTox Dashboard DTXSID7020479
FDA SRS W6U08B045O
IBM Patent System 770C9280702F5DBB4AD9FF5168648B05
KEGG Ligand C14326
LINCS LSM-24992
MolPort MolPort-003-665-438
Nikkaji J1.926G
NMRShiftDB 20209451
PubChem 3082
PubChem: Thomson Pharma 14994528
SureChEMBL SCHEMBL20525536 SCHEMBL18159
ZINC ZINC000002041343

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