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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL30505
CHEMBL30505
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H17K2N2O6P

Additional synonyms for CHEMBL30505 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].[K+].CCOP(=O)([O-])N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]
Standard InChI InChI=1S/C10H19N2O6P.2K/c1-3-18-19(16,17)11-7(2)9(13)12-6-4- ...
Download InChI
Standard InChI Key TVEBTARCRHOETM-FOMWZSOGSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL30505

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
294.2 294.0981 0.18 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
3.15 4.44 -.08 -4.82 0 19 0.6

Structural Alerts

There are 6 structural alerts for CHEMBL30505. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TVEBTARCRHOETM-FOMWZSOGSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL30505



PubChem 44280480

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