CHEBI:39086 - linkable Ro 320-1195 analogue

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ChEBI Name linkable Ro 320-1195 analogue
ChEBI ID CHEBI:39086
Definition A racemic analogue of Ro 320-1195, where the terminal hydroxy group is replaced by an amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H19FN4O3
Net Charge 0
Average Mass 370.37772
Monoisotopic Mass 370.14412
InChI InChI=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
InChIKey IWTHDTIMGKIRDQ-UHFFFAOYSA-N
SMILES NCC(O)COc1cccc(c1)C(=O)c1cnn(-c2ccc(F)cc2)c1N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 analogue ChEBI
Last Modified
22 August 2011
General Comment
2007-08-01 Racemate; analogue of Ro 320-1195 used in protein-binding studies.