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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL291009
CHEMBL291009
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H31NO

Additional synonyms for CHEMBL291009 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCCC(=O)C)N12
Standard InChI InChI=1S/C17H31NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4 ...
Download InChI
Standard InChI Key ACPYOBRCKMOLFK-GVDBMIGSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL291009

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
265.4 265.2406 4.32 8 20.31 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.26 4.23 1.2 0 19 0.61

Structural Alerts

There are 4 structural alerts for CHEMBL291009. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ACPYOBRCKMOLFK-GVDBMIGSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL291009



BindingDB 50089162
Nikkaji J1.342.503E
PubChem 12049946
PubChem: Thomson Pharma 85096192
ZINC ZINC000014454624

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