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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL282987
CHEMBL282987
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H12K3N2O6P

Additional synonyms for CHEMBL282987 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].[K+].[K+].C[C@H](NP(=O)([O-])[O-])C(=O)N1CCC[C@H]1C(=O) ...
Download SMILES
Standard InChI InChI=1S/C8H15N2O6P.3K/c1-5(9-17(14,15)16)7(11)10-4-2-3-6(10 ...
Download InChI
Standard InChI Key AILVYGVMNOGCEO-VDBFCSKJSA-K

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL282987

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
266.2 266.0668 -0.87 4 127.17 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.21 - -1.1 -5.86 0 17 0.49

Structural Alerts

There are 4 structural alerts for CHEMBL282987. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AILVYGVMNOGCEO-VDBFCSKJSA-K

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL282987



PubChem 44280446

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/AILVYGVMNOGCEO-VDBFCSKJSA-K spacer
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