((s,-n-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(cyclopropylmethyl)-n-methyl-alpha-phenyl-1-piperazineacetamide monohydrochloride monohydrate)]
- Other Name: (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-2-phenylacetamide;hydrate;hydrochloride
- InChIKey: DBRLJEGCBBXRQN-ASMAMLKCSA-N
- InChI: InChI=1S/C27H31F6N3O.ClH.H2O/c1-34(10-9-20-15-22(26(28,29)30)17-23(16-20)27(31,32)33)25(37)24(21-5-3-2-4-6-21)36-13-11-35(12-14-36)18-19-7-8-19;;/h2-6,15-17,19,24H,7-14,18H2,1H3;1H;1H2/t24-;;/m0../s1
- SMILES: CN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](C2=CC=CC=C2)N3CCN(CC3)CC4CC4.O.Cl
- Exact Mass: 581.22437
- Molecular Formula: C27H34ClF6N3O2
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Compound CID:
118753394
118753394
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.