HMDB0256360 RDKit 3D Pexidartinib 44 47 0 0 0 0 0 0 0 0999 V2000 8.5169 -0.0867 1.1524 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4886 0.8597 0.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3232 1.5474 2.1360 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 1.6953 -0.0059 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 0.1697 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2107 -0.4640 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1009 -1.1251 -1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9721 -1.1832 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 -1.9297 -0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8237 -1.0701 -1.2979 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -0.4620 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 0.3657 -1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 0.9135 -0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 0.6454 0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6762 1.1282 1.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8661 0.3038 1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0947 -1.0125 1.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1653 -1.4993 0.9411 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6269 -0.5258 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6632 -0.4611 -0.7376 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 0.6305 -1.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1674 1.7732 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5541 3.2015 -2.2877 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0826 1.7664 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8163 0.6097 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5513 -0.1877 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 -0.7051 0.7093 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0086 -0.5590 0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1326 0.1155 1.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 -0.4305 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1079 -1.6037 -2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3424 -2.4807 0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 -2.6994 -1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8567 -0.8664 -2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 0.5842 -2.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 1.5543 -1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9028 2.1630 1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5413 1.0227 2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5015 -1.5424 2.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5944 -2.4421 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7888 0.6322 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4142 2.6098 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7576 -0.3803 2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 -0.5750 1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 14 26 1 0 26 27 2 0 8 28 1 0 28 29 2 0 29 5 1 0 27 11 1 0 25 16 1 0 25 19 1 0 6 30 1 0 7 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 21 41 1 0 24 42 1 0 26 43 1 0 28 44 1 0 M END