chembl4525728
- Other Name: 2-[6-[4-[4-[(4,6-Difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl)methyl]phthalazin-1-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
- InChIKey: JLICQEDOBFVDHH-UHFFFAOYSA-N
- InChI: InChI=1S/C27H27F2N5O2/c1-26(2,35)18-7-8-24(30-16-18)33-9-11-34(12-10-33)25-20-6-4-3-5-19(20)22(31-32-25)13-17-14-23-27(29,36-23)15-21(17)28/h3-8,14-16,23,35H,9-13H2,1-2H3
- SMILES: CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC6C(O6)(C=C5F)F)O
- Exact Mass: 491.21328
- Molecular Formula: C27H27F2N5O2
-
Compound CID:
155543759
155543759
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.