HMDB0244637 RDKit 3D 3-(4-(2-Dimethylamino-1-methylethoxy)phenyl)-1H-pyrazolo(3,4-b)pyridine-1-ace... 48 50 0 0 0 0 0 0 0 0999 V2000 -4.5564 -2.1706 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -1.1837 0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5722 -0.2809 1.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4393 0.6130 1.0803 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 0.1048 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 1.8593 0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -0.4397 0.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 -0.3353 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 0.4862 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 0.6627 -1.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1897 0.0086 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6313 0.1839 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 0.4394 0.8246 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6785 0.5389 0.3967 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8241 0.8090 1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4272 -0.4413 1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9244 -1.5342 1.4129 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5464 -0.3400 2.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7142 0.3565 -0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6923 0.3466 -1.8675 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 0.1248 -3.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1384 -0.1048 -3.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 -0.1010 -2.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4235 0.1259 -1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 -0.8108 0.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 -0.9612 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0488 -1.6578 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2441 -2.7540 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8572 -2.9059 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0856 -1.7756 1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8407 0.2982 2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1451 -0.9085 2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5350 0.2247 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7876 -0.9236 0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4539 0.7097 0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0954 2.6003 1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8019 1.8651 0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4464 2.3070 -0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6392 0.9955 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8063 1.3066 -1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5628 1.4542 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 1.4209 2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4267 -0.1475 2.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2099 0.1207 -3.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8975 -0.2826 -4.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1128 -0.2840 -3.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3012 -1.3306 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 -1.6052 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 2 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 11 25 1 0 25 26 2 0 26 8 1 0 24 12 1 0 24 19 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 5 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 6 38 1 0 9 39 1 0 10 40 1 0 15 41 1 0 15 42 1 0 18 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 25 47 1 0 26 48 1 0 M END