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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL464812
CHEMBL464812
Compound Name HYDRAMETHYLNON
ChEMBL Synonyms Hydramethylnon
Max Phase 0
Trade Names
Molecular Formula C25H24F6N4

Additional synonyms for CHEMBL464812 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CNC(=NN=C(\C=C\c2ccc(cc2)C(F)(F)F)\C=C\c3ccc(cc3)C(F)( ...
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Standard InChI InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7- ...
Download InChI
Standard InChI Key IQVNEKKDSLOHHK-FNCQTZNRSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL464812

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
494.5 494.1905 6.46 7 48.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.1 7.12 6.35 2 35 0.26

Structural Alerts

There are 7 structural alerts for CHEMBL464812. To view alerts please click here.

Compound Cross References

IRAC D - ENERGY METABOLISM
D20 - MITOCHONDRIAL COMPLEX III ELECTRON TRANSPORT INHIBITORS
D2020A - HYDRAMETHYLNON
D2020A1 - HYDRAMETHYLNON
ChemSpider ChemSpider:IQVNEKKDSLOHHK-FNCQTZNRSA-N
PubChem SID: 144213478 SID: 26757187
Wikipedia Hydramethylnon

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL464812



ACToR 67485-29-4
ChEBI 38531
EPA CompTox Dashboard DTXSID6023868
FDA SRS J265GZ7MFJ
KEGG Ligand C10994
MolPort MolPort-020-000-192 MolPort-023-220-216
Nikkaji J125.937G
PubChem 5281875
PubChem: Thomson Pharma 16259702
SureChEMBL SCHEMBL26691
ZINC ZINC000004098975

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