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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43719
CHEMBL43719
Compound Name HEPTYLFORMAMIDE
ChEMBL Synonyms N-Heptyl-Formamide
Max Phase 0
Trade Names
Molecular Formula C8H17NO

Additional synonyms for CHEMBL43719 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCNC=O
Standard InChI InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10 ...
Download InChI
Standard InChI Key YAUHDTOEJHVKJO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL43719

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
143.2 143.131 1.7 7 29.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .99 .99 0 10 0.43

Structural Alerts

There are 9 structural alerts for CHEMBL43719. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YAUHDTOEJHVKJO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43719



ACToR 59734-16-6
BindingDB 50064266
Brenda 122877
DrugBank DB04105
EPA CompTox Dashboard DTXSID90324227
IBM Patent System 3153B2834EF5B9AFE71A002F530B3E6C
MolPort MolPort-006-169-505
Nikkaji J962.578J
PDBe HPL
PubChem 347402
PubChem: Thomson Pharma 15898420
SureChEMBL SCHEMBL146004
ZINC ZINC000001598919

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