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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL105809
CHEMBL105809
Compound Name METALAXYL
ChEMBL Synonyms Metalaxyl
Max Phase 0
Trade Names
Molecular Formula C15H21NO4

Additional synonyms for CHEMBL105809 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C
Standard InChI InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12 ...
Download InChI
Standard InChI Key ZQEIXNIJLIKNTD-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL105809

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
279.3 279.1471 2.06 6 55.84 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.41 1.76 1.76 1 20 0.75

Structural Alerts

There are 2 structural alerts for CHEMBL105809. To view alerts please click here.

Compound Cross References

FRAC A - NUCLEIC ACID SYNTHESIS
A1 - RNA POLYMERASE I
A14 - PA - FUNGICIDES (PHENYLAMIDES)
A14A - ACYLALANINES
A14A4 - METALAXYL
ChemSpider ChemSpider:ZQEIXNIJLIKNTD-UHFFFAOYSA-N
PubChem SID: 144205623 SID: 144209259 SID: 144211107 SID: 170466808 SID: 26757148
Wikipedia Metalaxyl

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL105809



ACToR 102256-63-3 57837-19-1
ChEBI 82790
eMolecules 500889
EPA CompTox Dashboard DTXSID6024175
Human Metabolome Database HMDB31802
IBM Patent System 674125283547266FC4E6421E83854CA1
KEGG Ligand C10947
Mcule MCULE-9363091484
Nikkaji J92.425C
NMRShiftDB 20209283
PubChem 42586
PubChem: Thomson Pharma 14848689
SureChEMBL SCHEMBL20990

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