null CDK 0225161915 null 28 31 0 0 0 0 0 0 0 0999 V2000 -3.6452 -2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3597 -3.1860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0741 -2.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0741 -1.9485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6575 -1.3651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0741 -0.7818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4908 -1.3651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0741 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3597 0.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4825 -1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8950 -2.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7200 -2.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1325 -1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7200 -0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8950 -0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9575 -1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3700 -2.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1950 -2.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6075 -1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1950 -0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3700 -0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6075 -2.7941 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3597 -4.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0741 -4.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 -4.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 -5.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2327 -5.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0577 -5.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 6 8 1 6 0 0 0 8 9 1 0 0 0 0 5 10 1 6 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 18 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 26 1 0 0 0 0 M END > CHEBI:128150 > 2-cyclopropyl-N-[[(2S,3S,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide > 2 > C23H27FN2O2 > 382.472 > 382.20566 > 0 > CN(C[C@@H]1[C@@H]([C@@H](N1)CO)C2=CC=C(C=C2)C3=CC(=CC=C3)F)C(=O)CC4CC4 > InChI=1S/C23H27FN2O2/c1-26(22(28)11-15-5-6-15)13-20-23(21(14-27)25-20)17-9-7-16(8-10-17)18-3-2-4-19(24)12-18/h2-4,7-10,12,15,20-21,23,25,27H,5-6,11,13-14H2,1H3/t20-,21+,23+/m1/s1 > FUGXLABWRWCWSI-GIWBLDEGSA-N > LSM-39705 $$$$