chembl4525730
- Other Name: (4E)-1,3-difluoro-4-[[4-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]phthalazin-1-yl]methylidene]cyclohexa-2,5-dien-1-ol
- InChIKey: PGKOUFPOSVBYHB-OBGWFSINSA-N
- InChI: InChI=1S/C27H27F2N5O2/c1-26(2,35)19-7-8-24(30-17-19)33-11-13-34(14-12-33)25-21-6-4-3-5-20(21)23(31-32-25)15-18-9-10-27(29,36)16-22(18)28/h3-10,15-17,35-36H,11-14H2,1-2H3/b18-15+
- SMILES: CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)/C=C/5\C=CC(C=C5F)(O)F)O
- Exact Mass: 491.21328
- Molecular Formula: C27H27F2N5O2
-
Compound CID:
155543784
155543784
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.