Explore ZINC000348114651 | TiHKAL

Exploring ZINC000348114651. To explore a different substance…

Name

ZINC000348114651

IUPAC name

(7R)-5-[(2R)-2-Hydroxy-3-(naphthalen-2-yl)propyl]-5-azaspiro[2.4]heptan-7-ol

ID 14882 · Formula C₁₉H₂₃NO₂ · Molecular weight 297.391

InChI InChI=1S/C19H23NO2/c21-17(11-20-12-18(22)19(13-20)7-8-19)10-14-5-6-15-3-1-2-4-16(15)9-14/h1-6,9,17-18,21-22H,7-8,10-13H2/t17-,18+/m1/s1

InChI Key IRKVALSNNQKCEW-MSOLQXFVSA-N This stereoisomer Any stereoisomer

SMILES O[C@H](Cc1ccc2c(c1)cccc2)CN1C[C@@H](C2(C1)CC2)O

Singh, I; Seth, A; Billesbølle, CB; Braz, J; Rodriguiz, RM; Roy, K; Bekele, B; Craik, V; Huang, X; Boytsov, D; Pogorelov, VM; Lak, P; O’Donnell, H; Sandtner, W; Irwin, JJ; Roth, BL; Basbaum, AI; Wetsel, WC; Manglik, A; Shoichet, BK; Rudnick, G. Structure-based discovery of conformationally selective inhibitors of the serotonin transporter Cell, 1 May 2023, 186 (10), 2160-2175.e17. 20.5 MB. https://doi.org/10.1016/j.cell.2023.04.010 #ZINC000348114651

2CLisaH

4′-(Furan-2-yl)-α-(pyrrolidin-1-yl)valerophenone · O-2441

2931

2936

Ethylnaphthidate · HDEP-28

9600

4′-Propynyl-CPT · RTI-281

Sch-12679 · Trepipam

8442

16-Oxaibogamin-14-ol

16-Oxaibogamin-13-ol

16-Oxanoribogaine

16-Oxaepinoribogaine

7 Dec 2019 · · Isomer Design