ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL607630
CHEMBL607630
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H20N5O7P

Additional synonyms for CHEMBL607630 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@H](OP(=O)(O)O)[C@H]1OC([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc ...
Download SMILES
Standard InChI InChI=1S/C13H20N5O7P/c1-2-3-6(25-26(21,22)23)10-8(19)9(20)13 ...
Download InChI
Standard InChI Key HEOCSFHUTISZKL-HBVTWTNQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL607630

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
389.3 389.11 -0.69 6 186.07 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 12 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.84 3.82 -1.82 -6.08 2 26 0.39

Structural Alerts

There are 6 structural alerts for CHEMBL607630. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HEOCSFHUTISZKL-HBVTWTNQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL607630



BindingDB 50367098
PubChem 46876878

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