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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL353955
CHEMBL353955
Compound Name DEOXYURIDINE
ChEMBL Synonyms Deoxyuridine | 2'-Deoxyuridine
Max Phase 0
Trade Names
Molecular Formula C9H12N2O5

Additional synonyms for CHEMBL353955 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O
Standard InChI InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11 ...
Download InChI
Standard InChI Key MXHRCPNRJAMMIM-SHYZEUOFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL353955

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
228.2 228.0746 -1.69 2 99.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.4 - -1.26 -1.26 0 16 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL353955. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MXHRCPNRJAMMIM-SHYZEUOFSA-N
Wikipedia Deoxyuridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL353955



ACToR 20649-53-0
Brenda 173331 110121 1060 1705 135938
ChEBI 16450
DrugBank DB02256
eMolecules 497080
FDA SRS W78I7AY22C
Human Metabolome Database HMDB0000012
IBM Patent System 82147A173D36DDE7982799CFC204F2C0
KEGG Ligand C00526
Mcule MCULE-8742018477 MCULE-5570819090
Metabolights MTBLC16450
MolPort MolPort-002-919-246
Nikkaji J7.186B
PDBe DUR
PubChem 13712
PubChem: Thomson Pharma 14798096 14794597
Recon duri
Rhea 16450
SureChEMBL SCHEMBL28844
ZINC ZINC000000155696

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