ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL118537
CHEMBL118537
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H18NO5P

Additional synonyms for CHEMBL118537 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@@H]1C[C@H]2CC(CP(=O)(O)O)CC[C@H]2N1
Standard InChI InChI=1S/C10H18NO5P/c12-10(13)9-4-7-3-6(5-17(14,15)16)1-2-8( ...
Download InChI
Standard InChI Key ZGDIQOPHIIVQPI-GXIMGVEYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL118537

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
263.2 263.0923 -2.67 3 116.67 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.3 11.06 -.33 -3.94 0 17 0.41

Structural Alerts

There are 3 structural alerts for CHEMBL118537. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZGDIQOPHIIVQPI-GXIMGVEYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL118537



Nikkaji J509.952H
PubChem 44345401

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