HMDB0247660 RDKit 3D N-(2-(3-(Piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)quinoxaline-2... 57 62 0 0 0 0 0 0 0 0999 V2000 1.1511 2.1080 0.9961 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 1.4466 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 1.5380 -1.2242 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1252 1.0602 -2.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9799 1.7387 -3.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1717 1.3153 -4.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5294 0.1848 -5.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7036 -0.4792 -4.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 -0.0758 -2.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -0.8354 -2.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9992 -0.6183 -0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -1.6651 -0.5185 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5969 -1.9740 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8144 -1.0930 1.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0331 -0.3632 1.6239 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0618 0.5009 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3302 1.2840 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7374 1.9060 1.6027 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7713 0.9837 2.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4487 0.2489 2.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2571 -3.1742 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7479 -3.8036 -1.0474 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 -2.5224 -1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 -2.0542 -2.4983 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 0.7600 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 -0.0277 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7118 -0.6521 -0.6593 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3297 -0.5101 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 -1.1424 0.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1742 -0.9942 1.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 -0.2129 2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3965 0.4152 2.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7182 0.2870 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5523 0.8957 1.2422 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 1.5729 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4735 2.6232 -3.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 1.8408 -5.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -0.1261 -6.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 -1.3649 -4.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 0.2873 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8641 -1.7678 2.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9168 -0.4204 1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 1.1877 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9895 -0.1490 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1414 2.1278 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1718 0.7100 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2776 2.7959 1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5447 0.2019 2.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0232 1.5553 3.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4617 -0.4652 3.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 1.0289 3.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -3.6002 1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 -0.2102 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9345 -1.7427 -0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 -1.5047 2.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -0.0878 3.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9447 1.0324 3.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 13 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 2 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 9 4 1 0 24 10 1 0 34 25 1 0 23 12 1 0 33 28 1 0 20 15 1 0 1 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 11 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 26 53 1 0 29 54 1 0 30 55 1 0 31 56 1 0 32 57 1 0 M END