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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1232164
CHEMBL1232164
Compound Name SEBACIC ACID
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H18O4

Additional synonyms for CHEMBL1232164 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCCCCCCCC(=O)O
Standard InChI InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,( ...
Download InChI
Standard InChI Key CXMXRPHRNRROMY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1232164

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
202.3 202.1205 2.28 9 74.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.47 - 1.71 -2.91 0 14 0.56

Structural Alerts

There are 9 structural alerts for CHEMBL1232164. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CXMXRPHRNRROMY-UHFFFAOYSA-N
PubChem SID: 144208976 SID: 82387

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1232164



ACToR 26776-29-4 111-20-6
Brenda 20233 67119
ChEBI 41865
ChemicalBook CB8109750 CB0329394
DrugBank DB07645
eMolecules 494560
EPA CompTox Dashboard DTXSID7026867
FDA SRS 97AN39ICTC
Human Metabolome Database HMDB0000792
IBM Patent System 48B3619EDDC4B1F3F94CD487508D7263
KEGG Ligand C08277
LipidMaps LMFA01170006
Mcule MCULE-3460494679
Metabolights MTBLC41865
MolPort MolPort-001-783-819
Nikkaji J10.109E
PDBe DEC
PubChem 5192
PubChem: Thomson Pharma 15171721
SureChEMBL SCHEMBL3977
ZINC ZINC000001531045

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