chembl4525734
- Other Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[4,6-difluoro-6-hydroxy-3-[[4-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]phthalazin-1-yl]methyl]cyclohexa-2,4-dien-1-yl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: OXBHJAFSFKLPTK-OOAYRKDSSA-N
- InChI: InChI=1S/C37H44F2N8O8S/c1-36(2,54)22-7-9-30(41-18-22)46-11-13-47(14-12-46)33-24-6-4-3-5-23(24)27(44-45-33)15-21-16-29(37(39,55)17-25(21)38)56-20-28(34(51)42-19-32(49)50)43-31(48)10-8-26(40)35(52)53/h3-7,9,16-18,26,28-29,54-55H,8,10-15,19-20,40H2,1-2H3,(H,42,51)(H,43,48)(H,49,50)(H,52,53)/t26-,28-,29?,37?/m0/s1
- SMILES: CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC(C(C=C5F)(O)F)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O
- Exact Mass: 798.29709
- Molecular Formula: C37H44F2N8O8S
-
Compound CID:
155543788
155543788
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.