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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3085419
CHEMBL3085419
Compound Name METHOMYL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H10N2O2S

Additional synonyms for CHEMBL3085419 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)ON=C(C)SC
Standard InChI InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)
Standard InChI Key UHXUZOCRWCRNSJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3085419

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
162.2 162.0463 1.04 1 50.69 NEUTRAL


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
13.28 - .6 .6 0 10 0.27

Structural Alerts

There are 10 structural alerts for CHEMBL3085419. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11A - CARBAMATES
A11A16 - METHOMYL
ChemSpider ChemSpider:UHXUZOCRWCRNSJ-UHFFFAOYSA-N
PubChem SID: 144211435

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3085419



ChEBI 6835
eMolecules 31216730
IBM Patent System 010F6C27AE7508ACBD6527566CDBE3EC
MolPort MolPort-023-220-449
PubChem 4109
ZINC ZINC000242687479

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