HMDB0246223 RDKit 3D 3-Chloro-2-methyl-N-(4-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)thiazol-2-yl)be... 48 50 0 0 0 0 0 0 0 0999 V2000 4.5720 1.4972 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7518 0.7011 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9494 0.8941 -0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9919 2.0777 -2.1812 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0787 0.1874 -0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0393 -0.7301 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8619 -0.9250 1.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 -0.2183 0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2557 -0.5307 1.7440 S 0 0 0 0 0 6 0 0 0 0 0 0 3.8648 0.7740 2.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 -1.4796 2.8695 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9451 -1.1010 0.7941 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7826 -0.2578 0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -0.4739 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2858 0.4165 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5886 0.1976 -0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5392 -0.4811 0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2155 -0.7877 1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8377 -0.8218 -0.2689 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3012 -0.5143 -1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5361 0.2944 -1.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4143 0.0626 -0.4713 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2149 1.2084 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1215 -0.8193 0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8054 -1.4926 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 1.5556 0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5022 1.2697 1.3791 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7694 0.9192 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1689 2.0657 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8768 2.2968 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 0.3483 -1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9498 -1.2961 0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8388 -1.6446 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 -2.0105 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9517 1.1882 -1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 -0.4582 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 -1.4500 -2.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5196 0.0638 -2.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0864 0.1823 -2.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2307 1.3825 -1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0527 0.9353 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6574 1.6092 -1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5893 2.0247 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2429 -0.2882 1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9153 -1.6228 0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8995 -2.5374 0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 -1.6260 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 2.3984 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 15 26 2 0 26 27 1 0 8 2 1 0 27 13 1 0 25 19 1 0 1 28 1 0 1 29 1 0 1 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 12 34 1 0 16 35 1 0 16 36 1 0 20 37 1 0 20 38 1 0 21 39 1 0 21 40 1 0 23 41 1 0 23 42 1 0 23 43 1 0 24 44 1 0 24 45 1 0 25 46 1 0 25 47 1 0 26 48 1 0 M END