60159894 -OEChem-04252412522D 61 66 0 0 0 0 0 0 0999 V2000 10.8705 -1.7469 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7355 -5.0179 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5318 2.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7481 -1.1479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8784 1.9350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 2.3734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3431 -2.8712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6855 -4.0705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0087 5.0179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1278 0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4744 0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4257 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7724 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8541 1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 2.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2007 1.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6047 3.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0461 -2.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9514 2.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0615 -2.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3705 -3.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 3.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 1.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3705 -3.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6795 -2.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 -3.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6777 3.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 2.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0555 -4.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6949 -2.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 4.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0760 -3.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3978 -2.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5472 0.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7427 0.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1566 1.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0984 0.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9236 -0.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8018 -0.9055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9765 -0.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1575 -1.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7436 -1.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1953 2.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6092 3.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9618 0.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7227 0.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8436 3.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0828 3.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4584 1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2519 -4.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 4.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8778 1.6206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8797 -1.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 3.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4890 -4.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0038 -2.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 27 1 0 0 0 0 2 31 1 0 0 0 0 3 15 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 20 2 0 0 0 0 7 28 1 0 0 0 0 8 23 1 0 0 0 0 8 28 2 0 0 0 0 9 34 3 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 23 2 0 0 0 0 23 26 1 0 0 0 0 24 29 2 0 0 0 0 24 34 1 0 0 0 0 25 30 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 33 2 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 35 1 0 0 0 0 32 59 1 0 0 0 0 33 36 1 0 0 0 0 33 58 1 0 0 0 0 35 36 2 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 M END > 60159894 > 1 > 837 > 8 > 0 > 3 > AAADceB7oQBAAAAAAAAAAAAAAAAAASAAAAA8eLECAAAAAFgB/gAAHwQAAAAADQjB3gw18fcIEAi8BydzdACjoKkxCrBJ2D0oZJiI6DLg2dGUJAxohgLoyC8UgIAOAAAAAAAGAAAAAAAAAAwAAAAAAAAAAA== > 2-[4-[1-(9-fluorobenzothiopheno[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]benzonitrile > 2-[4-[[1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-4-piperidinyl]-oxomethyl]-1-piperazinyl]benzonitrile > 2-[4-[1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]benzonitrile > 2-[4-[1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]benzonitrile > 2-[4-[1-(9-fluoranyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]carbonylpiperazin-1-yl]benzenecarbonitrile > 2-[4-[1-(9-fluorobenzothiopheno[3,2-d]pyrimidin-4-yl)isonipecotoyl]piperazino]benzonitrile > InChI=1S/C27H25FN6OS/c28-20-5-3-7-22-23(20)24-25(36-22)26(31-17-30-24)33-10-8-18(9-11-33)27(35)34-14-12-32(13-15-34)21-6-2-1-4-19(21)16-29/h1-7,17-18H,8-15H2 > SOUKSPFFMNNSPO-UHFFFAOYSA-N > 4.5 > 500.17945878 > C27H25FN6OS > 500.6 > C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3C#N)C4=NC=NC5=C4SC6=CC=CC(=C65)F > C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3C#N)C4=NC=NC5=C4SC6=CC=CC(=C65)F > 105 > 500.17945878 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 22 8 1 27 8 20 22 8 21 24 8 21 25 8 22 23 8 23 26 8 24 29 8 25 30 8 26 27 8 26 31 8 27 33 8 29 32 8 30 32 8 31 35 8 33 36 8 35 36 8 7 20 8 7 28 8 8 23 8 8 28 8 $$$$