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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3185220
CHEMBL3185220
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H40AlO4

Additional synonyms for CHEMBL3185220 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O
Standard InChI InChI=1S/C18H36O2.Al.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14- ...
Download InChI
Standard InChI Key UGMCXQCYOVCMTB-UHFFFAOYSA-K

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3185220

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
347.5 347.2742 - - - -


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


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

Structural Alerts

There are no structural alerts for CHEMBL3185220

Compound Cross References

ChemSpider ChemSpider:UGMCXQCYOVCMTB-UHFFFAOYSA-K
PubChem SID: 144206641

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3185220



ACToR 7047-84-9
ChEBI 31197
ChemicalBook CB6738080
DrugBank DB01375
eMolecules 476313
EPA CompTox Dashboard DTXSID9048697
FDA SRS P9BC99461E
Nikkaji J227.350K
PubChem 10246924
PubChem: Thomson Pharma 15249946
SureChEMBL SCHEMBL4101

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