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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL552761
CHEMBL552761
Compound Name
ChEMBL Synonyms Methomyl
Max Phase 0
Trade Names
Molecular Formula C5H10N2O2S

Additional synonyms for CHEMBL552761 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)O\N=C(/C)\SC
Standard InChI InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7- ...
Download InChI
Standard InChI Key UHXUZOCRWCRNSJ-QPJJXVBHSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL552761

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 0.47 3 75.99 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 0.28

Structural Alerts

There are 10 structural alerts for CHEMBL552761. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UHXUZOCRWCRNSJ-QPJJXVBHSA-N
PubChem SID: 26757125

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL552761



ACToR 19928-35-9
Brenda 18393
FDA SRS 1NQ08HN02S
Human Metabolome Database HMDB0031804
KEGG Ligand C11196
MolPort MolPort-023-220-449
Nikkaji J3.448G
NMRShiftDB 20208473
PubChem 5353758
PubChem: Thomson Pharma 14867449
SureChEMBL SCHEMBL27111
ZINC ZINC000004652497

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