null CDK 0225161917 null 33 37 0 0 0 0 0 0 0 0999 V2000 3.4975 4.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9019 4.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 3.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 2.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 3.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 4.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 1.8953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8984 1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5009 2.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 1.0941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 -0.2372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3637 0.4640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5391 0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1994 3.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 2.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 2.5677 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 -0.9900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -0.9642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8429 -1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6675 -1.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1937 -1.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 2 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 11 1 6 0 0 0 15 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 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 17 29 1 0 0 0 0 29 30 1 0 0 0 0 30 14 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 0 0 0 0 29 33 1 0 0 0 0 M END > CHEBI:129989 > [(3aR,4S,9bR)-8-(2-fluorophenyl)-5-methyl-1-(3-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol > 2 > C26H27FN2O3S > 466.570 > 466.17264 > 0 > CC1=CC(=CC=C1)S(=O)(=O)N2CC[C@H]3[C@@H]2C4=C(C=CC(=C4)C5=CC=CC=C5F)N([C@@H]3CO)C > InChI=1S/C26H27FN2O3S/c1-17-6-5-7-19(14-17)33(31,32)29-13-12-21-25(16-30)28(2)24-11-10-18(15-22(24)26(21)29)20-8-3-4-9-23(20)27/h3-11,14-15,21,25-26,30H,12-13,16H2,1-2H3/t21-,25-,26-/m1/s1 > RVAJSSWYGUKEHO-LPPUWEFUSA-N > LSM-41540 $$$$