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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15187
CHEMBL15187
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H18N2O4

Additional synonyms for CHEMBL15187 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)C(N)Cc1c(C)onc1OCC
Standard InChI InChI=1S/C11H18N2O4/c1-4-15-10-8(7(3)17-13-10)6-9(12)11(14)1 ...
Download InChI
Standard InChI Key IZOAXVQAWZRCGX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15187

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
242.3 242.1267 0.81 6 87.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.21 2.04 2.01 1 17 0.74

Structural Alerts

There are 3 structural alerts for CHEMBL15187. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IZOAXVQAWZRCGX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15187



PubChem 14484137

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