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CHEBI:2952 - Azidopine

Default Structure
ChEBI IDCHEBI:2952
ChEBI NameAzidopine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H26F3N5O5
Net Charge0
Average Mass557.529
Monoisotopic Mass557.18860
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2ccc(N=N#N)cc2)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C27H26F3N5O5/c1-4-39-25(37)21-15(2)33-16(3)22(23(21)19-7-5-6-8-20(19)27(28,29)30)26(38)40-14-13-32-24(36)17-9-11-18(12-10-17)34-35-31/h5-12,23,33H,4,13-14H2,1-3H3,(H,32,36)
InChIKeySWMHKFTXBOJETC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Azidopine (CHEBI:2952) is a benzamides (CHEBI:22702)
Synonym  Source
AzidopineKEGG COMPOUND
Manual XrefsDatabases
C11282KEGG COMPOUND
Registry NumbersSources
CAS:90523-31-2KEGG COMPOUND