chembl4525727
- Other Name: 2-[6-[4-[4-[(1,5-Difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-yl)methyl]phthalazin-1-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
- InChIKey: IDHFQEDBZLLBPK-UHFFFAOYSA-N
- InChI: InChI=1S/C27H27F2N5O2/c1-26(2,35)18-8-10-23(30-16-18)33-11-13-34(14-12-33)25-20-6-4-3-5-19(20)22(31-32-25)15-17-7-9-21(28)24-27(17,29)36-24/h3-10,16,24,35H,11-15H2,1-2H3
- SMILES: CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=C(C6C5(O6)F)F)O
- Exact Mass: 491.21328
- Molecular Formula: C27H27F2N5O2
-
Compound CID:
155543758
155543758
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.