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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1570455
CHEMBL1570455
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H18O4

Additional synonyms for CHEMBL1570455 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1CCCC(CC(=O)O)(CC(=O)O)C1
Standard InChI InChI=1S/C11H18O4/c1-8-3-2-4-11(5-8,6-9(12)13)7-10(14)15/h8H ...
Download InChI
Standard InChI Key HJPDHTDUPWGUHP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1570455

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
214.3 214.1205 1.8 4 74.6 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.42 - 1.81 -2.83 0 15 0.75

Structural Alerts

There are 2 structural alerts for CHEMBL1570455. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HJPDHTDUPWGUHP-UHFFFAOYSA-N
PubChem SID: 26664394 SID: 69563

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1570455



eMolecules 7327370
EPA CompTox Dashboard DTXSID50277588
IBM Patent System 5F4F65A6F9C56A190DD4C3EBB027618B
Mcule MCULE-2928763866
Nikkaji J136.407C
PubChem 220370
SureChEMBL SCHEMBL2870375

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