ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL369105
CHEMBL369105
Compound Name AMINOCARBONYL DIHYDROGEN PHOSPHATE
ChEMBL Synonyms Carbamoyl Phosphate Di Sodium | Aminocarbonyl Dihydrogen Phosphate
Max Phase 0
Trade Names
Molecular Formula CH4NO5P

Additional synonyms for CHEMBL369105 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)OP(=O)(O)O
Standard InChI InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
Standard InChI Key FFQKYPRQEYGKAF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL369105

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
141 140.9827 -0.86 2 119.65 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.47 - -1.98 -6.39 0 8 0.43

Structural Alerts

There are 6 structural alerts for CHEMBL369105. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FFQKYPRQEYGKAF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL369105



BindingDB 50162819
Brenda 5136 47621 440
ChEBI 17672
Human Metabolome Database HMDB0001096
IBM Patent System 751C2B02E73E66FD738A5A7D1DA1C0D9
KEGG Ligand C00169
Metabolights MTBLC17672
Nikkaji J39.574I
PDBe CP
PubChem 278
PubChem: Thomson Pharma 15219090
SureChEMBL SCHEMBL50374
ZINC ZINC000008383183

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