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CHEBI:39086 - linkable Ro 320-1195 analogue

ChEBI IDCHEBI:39086
ChEBI Namelinkable Ro 320-1195 analogue
Stars
DefinitionA racemic analogue of Ro 320-1195, where the terminal hydroxy group is replaced by an amino group.
Last Modified22 August 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H19FN4O3
Net Charge0
Average Mass370.384
Monoisotopic Mass370.14412
SMILESNCC(O)COc1cccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)c1
InChIInChI=1S/C19H19FN4O3/c20-13-4-6-14(7-5-13)24-19(22)17(10-23-24)18(26)12-2-1-3-16(8-12)27-11-15(25)9-21/h1-8,10,15,25H,9,11,21-22H2
InChIKeyIWTHDTIMGKIRDQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
linkable Ro 320-1195 analogue (CHEBI:39086) has functional parent Ro 320-1195 (CHEBI:45116)
linkable Ro 320-1195 analogue (CHEBI:39086) is a benzoylpyrazole (CHEBI:38318)
linkable Ro 320-1195 analogue (CHEBI:39086) is a organofluorine compound (CHEBI:37143)
linkable Ro 320-1195 analogue (CHEBI:39086) is a primary amino compound (CHEBI:50994)
IUPAC Name 
[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl][3-(3-amino-2-hydroxypropoxy)phenyl]methanone
Synonym  Source
linkable Ro-320-1195 analogueChEBI