(2s)-n-(2-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxyethyl)-2-(4-(cyclopropylmethyl)piperazin-1-yl)-n-methyl-2-phenylacetamide
- Other Name: (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-2-phenylacetamide
- InChIKey: BUXWWIVUXFTSCQ-CGAIIQECSA-N
- InChI: InChI=1S/C27H31F6N3O2/c1-34(17-23(37)20-13-21(26(28,29)30)15-22(14-20)27(31,32)33)25(38)24(19-5-3-2-4-6-19)36-11-9-35(10-12-36)16-18-7-8-18/h2-6,13-15,18,23-24,37H,7-12,16-17H2,1H3/t23?,24-/m0/s1
- SMILES: CN(CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O)C(=O)[C@H](C2=CC=CC=C2)N3CCN(CC3)CC4CC4
- Exact Mass: 543.23205
- Molecular Formula: C27H31F6N3O2
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Compound CID:
118753509
118753509
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.