HMDB0259625 RDKit 3D 2,4-Pyrimidinediamine, 5-(5-(1-piperazinylmethyl)-1,3,4-oxadiazol-2-yl)-N4-pr... 60 63 0 0 0 0 0 0 0 0999 V2000 -0.1105 4.7404 -0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 4.4730 0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2396 3.1446 0.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 2.0380 0.4289 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 0.7259 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2228 0.5449 0.6312 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -0.6560 0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2149 -0.8176 0.8638 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 0.3223 1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4690 -0.0680 1.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9921 -0.7505 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0561 -2.1067 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5584 -2.6462 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -1.8729 -2.2803 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9499 -0.5295 -2.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4611 0.0282 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 -1.7206 0.4138 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6864 -1.6038 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -0.3479 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3749 -0.2562 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2192 0.7694 -0.1116 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4491 0.3589 -0.3549 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -0.9816 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5541 -1.9058 -0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7581 -1.1140 -0.8557 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8363 -2.0493 -1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3295 -2.5683 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1593 -1.5331 0.7952 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5875 -0.2600 0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 -0.3344 0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -1.3164 -0.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 5.7287 -0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 3.9929 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 4.6483 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 4.5745 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3192 5.2474 0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0489 3.1804 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7664 3.0527 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6368 2.2567 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6428 -1.7625 0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6545 0.8819 1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 1.0528 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4934 -0.7729 2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1229 0.7905 1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 -2.7544 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5867 -3.7324 -1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 0.0663 -2.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4392 1.1015 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 -2.4626 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4044 -2.5118 -1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 -2.5496 0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4813 -2.8996 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6895 -1.5820 -1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5186 -2.7702 0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8901 -3.5253 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1285 -1.6406 0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8152 0.5337 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9664 0.1163 -0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6035 -0.6939 1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7381 0.7268 0.1684 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 5 6 2 0 6 7 1 0 7 8 1 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 2 0 7 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 23 31 1 0 19 5 1 0 31 20 1 0 16 11 1 0 30 25 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 12 45 1 0 13 46 1 0 15 47 1 0 16 48 1 0 18 49 1 0 24 50 1 0 24 51 1 0 26 52 1 0 26 53 1 0 27 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 29 58 1 0 30 59 1 0 30 60 1 0 M END