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-0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9391 -1.5036 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4691 -0.2246 -2.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.0526 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6484 -1.3882 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 -0.4177 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9303 -1.7442 -1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3279 0.0298 1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3239 -1.2989 -0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5995 0.2687 -3.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2171 -2.7636 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3941 -2.0691 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 -2.6307 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9219 -1.5873 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7492 3.2691 -0.0140 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2972 -3.3931 0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1136 1.0318 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8936 4.1273 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 -3.9707 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 4.1984 -0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 4.9242 1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 -5.0629 0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5118 -0.8702 1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7225 -1.3592 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 1.4301 1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8553 2.4849 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2408 0.5708 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7661 -0.4816 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9325 3.1666 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0951 2.7803 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0984 1.2400 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9153 3.8658 -0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2871 2.4637 -1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5428 3.2520 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7806 3.6208 2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2651 2.1029 3.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4752 3.1439 2.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9752 1.6024 -0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -2.1541 0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2748 -0.9486 -2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5057 -0.7368 -2.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 0.5303 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5021 0.3252 -0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2907 -0.4701 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5477 -1.0692 -2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9884 -2.7442 -1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2761 1.0301 1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7224 -0.6466 1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7577 -2.0268 -0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9864 -1.2353 -1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5268 -0.5589 -4.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8153 0.9985 -4.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5587 0.7766 -4.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -0.5898 -0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7286 2.9495 -0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0501 -4.1339 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7446 4.8085 1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 3.5647 2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 -4.1858 0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7424 4.8258 -1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3854 3.6793 -1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 4.3866 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7147 5.9085 1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2639 -6.0260 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 2 34 1 0 0 0 0 2 36 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 36 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 30 1 0 0 0 0 7 21 1 0 0 0 0 7 24 2 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 35 1 0 0 0 0 10 41 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 23 2 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 22 29 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 24 31 1 0 0 0 0 25 27 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 32 1 0 0 0 0 30 38 2 0 0 0 0 31 33 1 0 0 0 0 31 35 2 0 0 0 0 32 33 2 0 0 0 0 33 73 1 0 0 0 0 34 37 1 0 0 0 0 34 39 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 37 40 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 41 1 0 0 0 0 38 78 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 83 1 0 0 0 0 M END > DB18064 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SWVYYNLRVIYURK-AREMUKBSSA-N/SDF?record_type=3d > CCOC1(CCN(CC1)C(C)C)C1=CC=C(N=C1)C1=CN2N=CC=C(N3CCN(CC3)C(=O)O[C@@H]3CCOC3)C2=C1 > InChI=1S/C31H42N6O4/c1-4-40-31(9-12-34(13-10-31)23(2)3)25-5-6-27(32-20-25)24-19-29-28(7-11-33-37(29)21-24)35-14-16-36(17-15-35)30(38)41-26-8-18-39-22-26/h5-7,11,19-21,23,26H,4,8-10,12-18,22H2,1-3H3/t26-/m1/s1 > SWVYYNLRVIYURK-AREMUKBSSA-N > C31H42N6O4 > 562.715 > 562.326753856 > 7 > 83 > 2.9842623684235297 > 64.21740090679504 > 1 > 0 > 0 > 0 > (3R)-oxolan-3-yl 4-(6-{5-[4-ethoxy-1-(propan-2-yl)piperidin-4-yl]pyridin-2-yl}pyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate > 2.9777040333333327 > 1 > 1 > 6 > 1 > 8.875691180205164 > 84.67000000000002 > 169.39259999999996 > 8 > 0 > (3R)-oxolan-3-yl 4-{6-[5-(4-ethoxy-1-isopropylpiperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl}piperazine-1-carboxylate > 0 $$$$