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CHEBI:749889 - df-003

Default Structure
ChEBI IDCHEBI:749889
ChEBI Namedf-003
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC18H15BrN5O6PS
Net Charge0
Average Mass540.292
Monoisotopic Mass538.96640
SMILES[H][C@@]12CO[P@@](O)(=S)O[C@@]1([H])[C@@H](O)[C@H](n1c(Br)nc3c(=O)n4cc(-c5ccccc5)nc4nc31)O2
InChIInChI=1S/C18H15BrN5O6PS/c19-17-21-11-14(24(17)16-12(25)13-10(29-16)7-28-31(27,32)30-13)22-18-20-9(6-23(18)15(11)26)8-4-2-1-3-5-8/h1-6,10,12-13,16,25H,7H2,(H,20,22)(H,27,32)/t10-,12-,13-,16-,31-/m1/s1
InChIKeyDBYADRPTMRXVDJ-QBCQWNFYSA-N
ChEBI Ontology
Outgoing Relation(s)
df-003 (CHEBI:749889) is a imidazoles (CHEBI:24780)
Synonyms  Source
Df-003ChEMBL
LP-DF003ChEMBL
Rp 8br-pet-cgmpsChEMBL