SCHEMBL23850254
General
Type : Urea derivative, Azaspiro, Oxazine
Chemical_Nomenclature : (4aR,8aS)-6-[6-[(2,4-difluorophenyl)methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
Canonical SMILES : C1CN(C[C@@H]2[C@H]1OCC(=O)N2)C(=O)N3CC4(C3)CC(C4)CC5=C(C=C(C=C5)F)F
InChI : InChI=1S\/C21H25F2N3O3\/c22-15-2-1-14(16(23)6-15)5-13-7-21(8-13)11-26(12-21)20(28)25-4-3-18-17(9-25)24-19(27)10-29-18\/h1-2,6,13,17-18H,3-5,7-12H2,(H,24,27)\/t17-,18+\/m1\/s1
InChIKey : YFOJTINWOSRIHX-MSOLQXFVSA-N
Other name(s) : A1I4L
MW : 405.4
Formula : C21H25F2N3O3
CAS_number :
PubChem : 152511323
UniChem : YFOJTINWOSRIHX-MSOLQXFVSA-N
Target
Structure :
9Q8D
References (1)
| Title : Tritium-Labeled Compounds in PET Tracer Discovery? A Case Study from Roche's Internal Monoacylglycerol Lipase Program - Edelmann_2025_ACS.Chem.Neurosci__ |
| Author(s) : Edelmann MR , Gobbi LC , Schmalzbauer S , Beck J , Muller MC , Hau JC , Huber S , Haider A , Wittwer MB , Pavlovic A , Collin L , Heer D , Topp A , Leibrock-Thielen L , Benz J , Hilbert M , Honer M , Grether U |
| Ref : ACS Chem Neurosci , : , 2025 |
| Abstract : |
| PubMedSearch : Edelmann_2025_ACS.Chem.Neurosci__ |
| PubMedID: 40968094 |