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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1566132
CHEMBL1566132
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H8

Additional synonyms for CHEMBL1566132 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)C=C
Standard InChI InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
Standard InChI Key RRHGJUQNOFWUDK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1566132

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
68.1 68.0626 1.75 1 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.35 2.35 0 5 0.41

Structural Alerts

There are 4 structural alerts for CHEMBL1566132. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RRHGJUQNOFWUDK-UHFFFAOYSA-N
PubChem SID: 144207265 SID: 17389847

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1566132



ACToR 78-79-5 68441-58-7
Brenda 59615
ChEBI 35194
eMolecules 486128
EPA CompTox Dashboard DTXSID2020761
FDA SRS 0A62964IBU
IBM Patent System C0E69472F26D9E8084A52F9D492DF7FC A5E69C9C52DDF7984727A2078D61D071 2960F3FFDAD3AF62ACCA23FB31E19426 7B05189EE4BBD0E79701882F9B4F486D 732D9C71450DF0A36FE58E0C20E54E5C F588E7F9DD57D02CFA12750A218864C3
KEGG Ligand C16521
Metabolights MTBLC35194
MolPort MolPort-001-787-102
Nikkaji J1.958E
NMRShiftDB 10016438
PDBe 61G
PubChem 6557
PubChem: Thomson Pharma 14940411
Rhea 35194
SureChEMBL SCHEMBL14855
ZINC ZINC000001699876

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