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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11755
CHEMBL11755
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H19NO3

Additional synonyms for CHEMBL11755 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C(/NC(=O)CCC1CCCC1)\C(=O)O
Standard InChI InChI=1S/C12H19NO3/c1-2-10(12(15)16)13-11(14)8-7-9-5-3-4-6-9 ...
Download InChI
Standard InChI Key SMEVVLDJQVBSIM-SGAXSIHGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL11755

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
225.3 225.1365 2.06 5 66.4 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
4.18 - 1.5 -1.7 0 16 0.7

Structural Alerts

There are 4 structural alerts for CHEMBL11755. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SMEVVLDJQVBSIM-SGAXSIHGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11755



PubChem 15595770
SureChEMBL SCHEMBL9747457
ZINC ZINC000026025023

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