53358322 -OEChem-05132412042D 71 75 0 1 0 0 0 0 0999 V2000 6.8970 0.4007 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6093 3.9377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1402 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 -0.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 0.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6402 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3092 -0.4083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4848 1.2098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6443 2.1461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 1.1516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7427 -0.7789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7536 -0.9879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.3038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6456 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 0.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1402 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7160 -1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7105 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0671 1.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0616 1.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7308 2.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5616 0.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5229 3.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1549 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1920 4.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1604 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6920 5.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7139 4.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3360 -1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3414 -1.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 -0.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3356 -1.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 -1.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3811 0.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6231 1.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 0.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2166 0.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1144 -1.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7592 -1.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2326 1.7761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6457 -2.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3271 -1.4912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7753 -0.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3084 0.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0366 0.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2380 2.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5099 2.1860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1813 2.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8086 4.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 0.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9442 5.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 5.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7004 -2.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0893 -2.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 32 1 0 0 0 0 2 37 1 0 0 0 0 3 29 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 13 7 1 1 0 0 0 7 18 1 0 0 0 0 8 24 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 65 1 0 0 0 0 10 31 2 0 0 0 0 11 33 2 0 0 0 0 11 38 1 0 0 0 0 12 35 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 26 1 0 0 0 0 22 57 1 0 0 0 0 23 27 2 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 28 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 29 2 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 27 64 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 38 39 2 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 M END > 53358322 > 1 > 873 > 10 > 2 > 11 > AAADcfB7sQBgAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAAAB/AAAHQQYQAAADCjFXgy+gZNrEAimAzRnRDCThKQxGjBY+bg4dJgIYOLg0dGUpAhgmADoyAcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-[4-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-(2-thienyl)-1H-pyrazol-3-yl]pyrazine > 2-[4-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]-3-pyrrolidinyl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine > 2-[4-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine > 2-[4-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine > 2-[4-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine > 2-[4-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-(2-thienyl)-1H-pyrazol-3-yl]pyrazine > InChI=1S/C27H32FN7O2S2/c1-3-35(22-11-15-34(18-22)19(2)20-6-8-21(28)9-7-20)39(36,37)31-12-10-23-26(24-17-29-13-14-30-24)32-33-27(23)25-5-4-16-38-25/h4-9,13-14,16-17,19,22,31H,3,10-12,15,18H2,1-2H3,(H,32,33)/t19?,22-/m1/s1 > XDQSDBOCBATCPK-AVKWCDSFSA-N > 3 > 569.20429380 > C27H32FN7O2S2 > 569.7 > CCN(C1CCN(C1)C(C)C2=CC=C(C=C2)F)S(=O)(=O)NCCC3=C(NN=C3C4=NC=CN=C4)C5=CC=CS5 > CCN([C@@H]1CCN(C1)C(C)C2=CC=C(C=C2)F)S(=O)(=O)NCCC3=C(NN=C3C4=NC=CN=C4)C5=CC=CS5 > 144 > 569.20429380 > 0 > 39 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 31 8 11 33 8 11 38 8 12 35 8 12 39 8 17 20 3 19 22 8 19 23 8 2 32 8 2 37 8 22 26 8 23 27 8 26 29 8 27 29 8 28 30 8 28 31 8 32 34 8 33 35 8 34 36 8 36 37 8 38 39 8 13 7 5 9 10 8 9 30 8 $$$$