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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL286181
CHEMBL286181
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H19K2N2O6P

Additional synonyms for CHEMBL286181 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].[K+].CC(C)OP(=O)([O-])N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O ...
Download SMILES
Standard InChI InChI=1S/C11H21N2O6P.2K/c1-7(2)19-20(17,18)12-8(3)10(14)13-6 ...
Download InChI
Standard InChI Key BQIDEFJHIXNNTL-CDEWPDHBSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL286181

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
308.3 308.1137 0.57 6 116.17 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
-.65 4.62 .28 -4.47 0 20 0.61

Structural Alerts

There are 6 structural alerts for CHEMBL286181. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BQIDEFJHIXNNTL-CDEWPDHBSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL286181



PubChem 44280869

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