Adamantylmethylamino-propanoyl-dimethyl-pyrrole-carboxylate-Cpd1
found in-silico not evaluated in vitro
General
Type : Adamantyl, Carboxylate
Chemical_Nomenclature : methyl 5-[(2R)-2-(1-adamantylmethylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Canonical SMILES : CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@@H](C)NCC23CC4CC(C2)CC(C4)C3
InChI : InChI=1S\/C22H32N2O3\/c1-12-18(21(26)27-4)13(2)24-19(12)20(25)14(3)23-11-22-8-15-5-16(9-22)7-17(6-15)10-22\/h14-17,23-24H,5-11H2,1-4H3\/t14-,15?,16?,17?,22?\/m1\/s1
InChIKey : UXLYPVXMEBHAMU-XSXQVXRUSA-N
Other name(s) : Methyl 2-[(3S)-3-(1,2,3,4,5,6,7,8-octahydro-2-naphthyl)-2-(methoxycarbonyl)-1H-pyrrol-1-yl]acetate
MW : 372.5
Formula : C22H32N2O3
CAS_number :
PubChem : 8512246
UniChem : UXLYPVXMEBHAMU-XSXQVXRUSA-N
Target
References (1)
| Title : MAISNet: A Multi-Species Integrated Graph Neural Network for Acetylcholinesterase Inhibitor Screening - Shao_2026_Bioinformatics__ |
| Author(s) : Shao D , Liang S , Xiong Y , Liang G |
| Ref : Bioinformatics , : , 2026 |
| Abstract : |
| PubMedSearch : Shao_2026_Bioinformatics__ |
| PubMedID: 41984821 |