2-{4-[(3s,5s)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]piperazin-1-yl}pyrimidin-5-yl hydrogen sulfate
- Other Name: [2-[4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-5-yl] hydrogen sulfate
- InChIKey: XDZDKTCTKCJWOP-JSGCOSHPSA-N
- InChI: InChI=1S/C17H24F2N6O5S/c18-17(19)1-2-25(11-17)15(26)14-7-12(8-20-14)23-3-5-24(6-4-23)16-21-9-13(10-22-16)30-31(27,28)29/h9-10,12,14,20H,1-8,11H2,(H,27,28,29)/t12-,14-/m0/s1
- SMILES: C1CN(CC1(F)F)C(=O)[C@@H]2C[C@@H](CN2)N3CCN(CC3)C4=NC=C(C=N4)OS(=O)(=O)O
- Exact Mass: 462.14970
- Molecular Formula: C17H24F2N6O5S
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Compound CID:
118753346
118753346
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.