72676419 -OEChem-03282413102D 65 68 0 1 0 0 0 0 0999 V2000 4.4487 -3.8512 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 0.1488 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 10.0766 -0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 -2.7632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 0.1488 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4487 2.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -0.6559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0468 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -1.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0766 1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2822 -1.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5766 1.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2106 1.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6055 -0.7521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 2.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5304 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 1.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 3.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 4.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 1.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 1.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 4.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 4.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 3.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 2.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 -1.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 -2.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 2.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 -1.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3027 -1.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1135 1.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8866 2.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0397 2.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6326 -0.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4796 0.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2526 1.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5206 2.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6736 1.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9006 0.9779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1995 -2.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -3.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -4.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 2 19 1 0 0 0 0 4 23 1 0 0 0 0 4 63 1 0 0 0 0 5 24 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 7 49 1 0 0 0 0 8 20 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 20 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 21 2 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 23 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 61 1 0 0 0 0 30 32 2 0 0 0 0 30 62 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 M END > 72676419 > 1 > 712 > 6 > 2 > 7 > AAADcfB7MABAEAAAAAAAAAAAAAAAAeIAAAA8QAAAAAAAAFgBwAAAHgRQSAABrCjh3gYygJLIEgKoAyVyVEDCgCAnAiQImKG4ZPgIcPLA1bGUYQhmlgDIy5eY2fOOgAAAEAAAAAAAAAAgAAAAAAAAAAAAAA== > 4-(3-bromophenyl)-2-tert-butylsulfinyl-N-cyclopentyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > 4-(3-bromophenyl)-2-tert-butylsulfinyl-N-cyclopentyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > 4-(3-bromophenyl)-2-tert-butylsulfinyl-N-cyclopentyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > 4-(3-bromophenyl)-2-tert-butylsulfinyl-N-cyclopentyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > 4-(3-bromophenyl)-2-tert-butylsulfinyl-N-cyclopentyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > 4-(3-bromophenyl)-2-tert-butylsulfinyl-N-cyclopentyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > InChI=1S/C25H32BrN3O3S/c1-25(2,3)33(32)29-15-17-14-20(24(31)27-19-9-4-5-10-19)28-23(22(17)21(29)11-12-30)16-7-6-8-18(26)13-16/h6-8,13-14,19,21,30H,4-5,9-12,15H2,1-3H3,(H,27,31) > OXGACFFOLTUNRH-UHFFFAOYSA-N > 3.8 > 533.13478 > C25H32BrN3O3S > 534.5 > CC(C)(C)S(=O)N1CC2=CC(=NC(=C2C1CCO)C3=CC(=CC=C3)Br)C(=O)NC4CCCC4 > CC(C)(C)S(=O)N1CC2=CC(=NC(=C2C1CCO)C3=CC(=CC=C3)Br)C(=O)NC4CCCC4 > 102 > 533.13478 > 0 > 33 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 10 20 8 13 21 8 2 19 3 21 22 8 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 8 20 8 8 22 8 9 18 3 $$$$