20957179 -OEChem-05052414522D 62 66 0 0 0 0 0 0 0999 V2000 11.0639 -4.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0639 -2.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 1.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4762 -3.5059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 2.7256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2329 1.3899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9762 -2.6398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9761 -2.6398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 -2.3080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5043 -3.2967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4762 -3.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9762 -2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9762 -4.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9762 -2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9762 -4.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0150 -4.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0150 -3.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 -3.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 3.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 1.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 2.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2824 1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9762 -4.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9772 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 -0.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3091 -1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4761 -3.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9761 -4.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 4.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5588 -2.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8685 -2.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8685 -4.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5588 -4.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0838 -2.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3936 -2.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3936 -4.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0838 -4.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1439 -4.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 -3.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 -3.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1439 -2.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1827 3.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4028 3.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9628 1.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 1.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0144 2.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7668 2.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 0.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5744 0.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2862 -4.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 3.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6724 2.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 -0.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 -0.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0905 -1.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 -0.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6662 -4.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8129 4.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 4.9786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5996 4.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 25 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 24 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 18 2 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 28 2 0 0 0 0 10 29 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 30 2 0 0 0 0 23 52 1 0 0 0 0 24 31 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 29 30 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 M END > 20957179 > 1 > 614 > 8 > 0 > 5 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWJAAAAsWLAAAAAAAFgB4AAAHgAIAAAACAThkwYzuJ8IFACqACNydACShCshAqAdmCE4ZJiZaJJAiIE2gAhCDgLGQCAUAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one > 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-ethyl-1-piperazinyl)-1-propanone > 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one > 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one > 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one > 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-ethylpiperazino)propan-1-one > InChI=1S/C21H31N7O3/c1-2-25-11-13-27(14-12-25)20(29)6-5-18-23-22-17-3-4-19(24-28(17)18)26-9-7-21(8-10-26)30-15-16-31-21/h3-4H,2,5-16H2,1H3 > QAKGRWZGQIRCFO-UHFFFAOYSA-N > 0 > 429.24883788 > C21H31N7O3 > 429.5 > CCN1CCN(CC1)C(=O)CCC2=NN=C3N2N=C(C=C3)N4CCC5(CC4)OCCO5 > CCN1CCN(CC1)C(=O)CCC2=NN=C3N2N=C(C=C3)N4CCC5(CC4)OCCO5 > 88.3 > 429.24883788 > 0 > 31 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 29 8 18 23 8 23 30 8 29 30 8 7 18 8 7 8 8 8 28 8 8 29 8 9 10 8 9 28 8 $$$$