HMDB0253776 RDKit 3D 4-[(2-Cyclobutylimidazo[4,5-b]pyrazin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2... 42 46 0 0 0 0 0 0 0 0999 V2000 1.9887 -3.4712 1.7695 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 -2.3968 1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1448 -1.9990 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2741 -0.8272 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1787 -0.4420 -1.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8264 0.3224 -0.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9659 -0.2075 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 -1.6047 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0216 -2.1385 1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 -1.7788 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -1.6406 -0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 0.7487 0.4363 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0484 1.9123 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2676 3.1722 0.6945 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4404 4.1914 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 3.9145 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0747 2.6577 -0.6785 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9013 1.6286 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4412 -0.1156 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6552 1.0321 -1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8179 1.7597 -0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7466 1.3284 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 2.0479 0.2439 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 0.1794 0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4985 -0.2329 1.7050 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3985 -0.5513 0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -1.6813 1.2973 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2911 -2.6311 0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -1.3877 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 0.1722 -2.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8045 -2.3309 -0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9161 -3.2581 1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -1.6088 1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1699 -2.6083 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8403 -0.8455 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1034 -0.7063 -1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0351 -2.5627 -1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6512 5.2204 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3607 4.7332 -0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 1.3306 -1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 2.6521 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 -1.9770 1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 7 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 4 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 1 0 24 26 2 0 26 27 1 0 27 2 1 0 18 6 1 0 26 19 1 0 11 8 1 0 18 13 1 0 3 28 1 0 5 29 1 0 5 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 15 38 1 0 16 39 1 0 20 40 1 0 21 41 1 0 27 42 1 0 M END