chembl4525732
- Other Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[6-fluoro-2-hydroxy-3-[[4-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]phthalazin-1-yl]methyl]phenyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- InChIKey: DDVLZUIQPFXTQY-XCZPVHLTSA-N
- InChI: InChI=1S/C37H43FN8O8S/c1-37(2,54)22-8-11-29(40-18-22)45-13-15-46(16-14-45)34-24-6-4-3-5-23(24)27(43-44-34)17-21-7-9-25(38)33(32(21)50)55-20-28(35(51)41-19-31(48)49)42-30(47)12-10-26(39)36(52)53/h3-9,11,18,26,28,50,54H,10,12-17,19-20,39H2,1-2H3,(H,41,51)(H,42,47)(H,48,49)(H,52,53)/t26-,28-/m0/s1
- SMILES: CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=C(C(=C(C=C5)F)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)O
- Exact Mass: 778.29086
- Molecular Formula: C37H43FN8O8S
-
Compound CID:
155543786
155543786
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.