ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3182226
CHEMBL3182226
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H24

Additional synonyms for CHEMBL3182226 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\C\C=C(/C)\C=C)\C)C
Standard InChI InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10 ...
Download InChI
Standard InChI Key CXENHBSYCFFKJS-VDQVFBMKSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3182226

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
204.4 204.1878 5.2 6 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.3 6.3 0 15 0.41

Structural Alerts

There are 6 structural alerts for CHEMBL3182226. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CXENHBSYCFFKJS-VDQVFBMKSA-N
PubChem SID: 144213931

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3182226



ACToR 502-61-4 18452-58-9
Brenda 153592 26025 149156
ChEBI 10280
eMolecules 26753656
EPA CompTox Dashboard DTXSID4047202
FDA SRS 7E1785CZ0H
Human Metabolome Database HMDB0036066
KEGG Ligand C09665
Metabolights MTBLC10280
Nikkaji J47.112G J6.205G
PubChem 5281516
PubChem: Thomson Pharma 15121053
Rhea 10280
SureChEMBL SCHEMBL83662
ZINC ZINC000001531529

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