54649370 -OEChem-04232409462D 83 87 0 1 0 0 0 0 0999 V2000 11.4580 0.7500 0.0000 S 0 0 2 0 0 0 0 0 0 0 0 0 11.9580 -0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 -2.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -0.0547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 1.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 -1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4580 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8241 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4869 -0.1509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4118 1.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6234 2.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5713 -1.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 -1.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7774 -1.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1842 -0.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9950 2.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7680 3.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9211 2.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5141 0.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3610 0.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1341 1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 2.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5551 2.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7820 1.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0809 -2.2898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 6 0 0 0 1 16 1 0 0 0 0 3 19 1 0 0 0 0 3 67 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 25 2 0 0 0 0 6 41 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 17 1 0 0 0 0 8 20 2 0 0 0 0 9 25 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 44 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 25 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 26 30 2 0 0 0 0 26 61 1 0 0 0 0 27 33 1 0 0 0 0 27 62 1 0 0 0 0 28 31 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 32 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 34 2 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 74 1 0 0 0 0 37 39 2 0 0 0 0 37 75 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 39 76 1 0 0 0 0 40 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 43 83 1 0 0 0 0 M END > 54649370 > 1 > 998 > 8 > 1 > 8 > AAADcfB/uABAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB0AAAHgQASAAADCjh3gYygJMIFgKoAyVyVEDCgCAnAiAImCG4ZNgKcPLA1bGXYQhmhgDYyYeY2fOOgAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > 3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(morpholine-4-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethyl-benzamide > 3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide > 3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(morpholine-4-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide > 3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(morpholine-4-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide > 3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-morpholin-4-ylcarbonyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethyl-benzamide > 3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(morpholine-4-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethyl-benzamide > InChI=1S/C33H40N4O5S/c1-33(2,3)43(41)37-21-26-20-27(32(40)36-13-16-42-17-14-36)34-30(29(26)28(37)12-15-38)24-10-6-8-22(18-24)23-9-7-11-25(19-23)31(39)35(4)5/h6-11,18-20,28,38H,12-17,21H2,1-5H3/t28-,43-/m0/s1 > FSDPWXFWDMXQOK-SBWXIOHRSA-N > 2.7 > 604.27194156 > C33H40N4O5S > 604.8 > CC(C)(C)S(=O)N1CC2=CC(=NC(=C2C1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)N5CCOCC5 > CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)N5CCOCC5 > 123 > 604.27194156 > 0 > 43 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 7 6 11 15 5 12 14 8 12 17 8 14 18 8 18 20 8 24 26 8 24 27 8 26 30 8 27 33 8 30 34 8 33 34 8 35 36 8 35 37 8 36 38 8 37 39 8 38 40 8 39 40 8 8 17 8 8 20 8 $$$$