null CDK 0224162333 null 32 34 0 0 0 0 0 0 0 0999 V2000 -2.3569 1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -1.6219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 0.1990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9093 -1.7928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0843 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -2.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 -3.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 -3.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 -3.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5363 -4.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -5.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3498 -6.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5318 -5.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2161 -5.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7183 -4.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4026 -3.7563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 -1.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 0.9612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0430 1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 2.3779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 7 1 0 0 0 0 15 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 14 28 1 6 0 0 0 12 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:109918 > LSM-21345 > 2 > C25H32FN3O3 > 441.539 > 441.24277 > 0 > CC=CC1=CN=C2C(=C1)C(=O)N(C[C@@H]([C@H](O2)CN(C)CC3=CC=CC=C3F)C)[C@@H](C)CO > InChI=1S/C25H32FN3O3/c1-5-8-19-11-21-24(27-12-19)32-23(17(2)13-29(25(21)31)18(3)16-30)15-28(4)14-20-9-6-7-10-22(20)26/h5-12,17-18,23,30H,13-16H2,1-4H3/t17-,18-,23+/m0/s1 > BFKPGMXAQGECHU-IUKKYPGJSA-N > LSM-21345 $$$$