ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL34402
CHEMBL34402
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H15K2N2O6P

Additional synonyms for CHEMBL34402 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].[K+].COP(=O)([O-])N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]
Standard InChI InChI=1S/C9H17N2O6P.2K/c1-6(10-18(15,16)17-2)8(12)11-5-3-4-7 ...
Download InChI
Standard InChI Key ROSHQKWCEDXPHH-JFYKYWLVSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL34402

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
280.2 280.0824 -0.21 5 116.17 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.14 4.33 -.59 -5.33 0 18 0.6

Structural Alerts

There are 6 structural alerts for CHEMBL34402. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ROSHQKWCEDXPHH-JFYKYWLVSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL34402



PubChem 44280867

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ROSHQKWCEDXPHH-JFYKYWLVSA-L spacer
spacer