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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215387
CHEMBL215387
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H40N2O3

Additional synonyms for CHEMBL215387 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Standard InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22( ...
Download InChI
Standard InChI Key XLGSEOAVLVTJDH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL215387

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
392.6 392.3039 5.24 13 78.43 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 1 5 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 5.81 3.22 0 28 0.38

Structural Alerts

There are 9 structural alerts for CHEMBL215387. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XLGSEOAVLVTJDH-UHFFFAOYSA-N
PubChem SID: 85146929

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215387



BindingDB 25737
Brenda 14997 13714 159711 9807 4147 14258 151351 4736 151348
eMolecules 17120591
EPA CompTox Dashboard DTXSID20435153
IBM Patent System 8CA4085D5B08A83EA09D5F467AB5FC91
PubChem 10069117
PubChem: Thomson Pharma 15054401
SureChEMBL SCHEMBL120588
ZINC ZINC000027645646

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