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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15799
CHEMBL15799
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H16

Additional synonyms for CHEMBL15799 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)C1CCC(=CC1)C
Standard InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H ...
Download InChI
Standard InChI Key XMGQYMWWDOXHJM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL15799

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
136.2 136.1252 3.31 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
- - 4.55 4.55 0 10 0.49

Structural Alerts

There are 2 structural alerts for CHEMBL15799. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XMGQYMWWDOXHJM-UHFFFAOYSA-N
PubChem SID: 144205621 SID: 144209016 SID: 144213720 SID: 26757134 SID: 26757135 SID: 29216433 SID: 67720

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15799



ACToR 5989-54-8 65996-98-7 138-86-3 26123-39-7 6876-12-6 5989-27-5
Brenda 9366
ChEBI 15384
eMolecules 498518
EPA CompTox Dashboard DTXSID2029612
Human Metabolome Database HMDB0032473
IBM Patent System 82EC0C3BAFD4DBF5FEA53C59EF898A8E
KEGG Ligand C06078
Mcule MCULE-2462317444
Metabolights MTBLC15384
MolPort MolPort-001-782-985
Nikkaji J2.532A
NMRShiftDB 10008727
PubChem 22311
PubChem: Thomson Pharma 15146675
SureChEMBL SCHEMBL8829

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