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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL358960
CHEMBL358960
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H29NO

Additional synonyms for CHEMBL358960 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC[C@@H](C)\C=C\1/CN2CCC[C@H]2[C@@](C)(O)C1
Standard InChI InChI=1S/C16H29NO/c1-4-5-7-13(2)10-14-11-16(3,18)15-8-6-9-17 ...
Download InChI
Standard InChI Key OKTQTXDNHCOLHT-AJKPHIATSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL358960

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
251.4 251.2249 3.63 4 23.47 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.49 3.78 2.5 0 18 0.77

Structural Alerts

There are 2 structural alerts for CHEMBL358960. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OKTQTXDNHCOLHT-AJKPHIATSA-N
Wikipedia Pumiliotoxin_251D

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL358960



ACToR 73376-35-9
Nikkaji J3.258.841G
PubChem 6440480
PubChem: Thomson Pharma 14971238

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