17-[2-[4-[6-(3-hydroxypyrrolidin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
- Other Name: 17-[2-[4-[6-(3-Hydroxypyrrolidin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
- InChIKey: KPYNFQOGMHAHOB-UHFFFAOYSA-N
- InChI: InChI=1S/C38H52N6O3/c1-25-20-31-29-7-6-26-21-27(45)8-11-37(26,2)30(29)9-12-38(31,3)35(25)32(47)24-41-16-18-42(19-17-41)33-22-34(44-15-10-28(46)23-44)40-36(39-33)43-13-4-5-14-43/h8-9,11,21-22,25,28-29,31,35,46H,4-7,10,12-20,23-24H2,1-3H3
- SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)C6=CC(=NC(=N6)N7CCCC7)N8CCC(C8)O)C)C
- Exact Mass: 640.41009
- Molecular Formula: C38H52N6O3
-
Compound CID:
154699747
154699747
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.