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0 0 0 0 0 0 0 0 0 0 1.0001 3.8516 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7209 1.4593 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 -0.3927 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 2.8264 1.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0416 1.8944 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 5.0290 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0871 0.9705 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0060 0.1803 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0744 -2.2962 -0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4582 -0.1684 -2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8773 1.2921 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8636 -2.1203 1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9507 -2.6687 1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2232 -1.2042 1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6749 0.7294 0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0215 0.5626 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2245 1.4827 -1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9416 1.6193 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5210 -0.3841 1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1805 -1.8215 0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5779 -3.0044 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9924 -3.1981 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4084 -1.1953 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 0.2476 -0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4407 -3.3475 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9025 -0.0976 -0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -2.3393 1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5412 -0.8126 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -2.0315 -2.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 -0.6255 -1.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9372 -0.5101 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3290 0.9807 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5375 0.8715 -1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5669 -2.0736 1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 -3.4839 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3122 -3.3264 -1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.8166 -2.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 1.2124 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5321 0.4924 2.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -1.4402 1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 0.3390 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9969 -2.8443 -0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 1.0843 2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2169 2.8917 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9197 2.1942 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6385 -1.1039 0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7934 2.8748 2.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4365 3.6623 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 1.8993 1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2555 2.9556 0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1209 5.4185 -1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1127 1.3139 0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5883 5.2392 -0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 31 2 0 0 0 0 3 34 2 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 24 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 31 1 0 0 0 0 8 23 1 0 0 0 0 8 31 1 0 0 0 0 8 80 1 0 0 0 0 9 34 1 0 0 0 0 9 37 1 0 0 0 0 9 82 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 93 1 0 0 0 0 11 46 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 13 17 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 18 1 0 0 0 0 14 49 1 0 0 0 0 14 52 1 0 0 0 0 15 19 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 20 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 30 1 0 0 0 0 21 65 1 0 0 0 0 22 23 1 0 0 0 0 23 29 1 0 0 0 0 23 66 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 25 27 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 28 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 32 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 32 36 1 0 0 0 0 32 38 2 0 0 0 0 33 35 1 0 0 0 0 33 81 1 0 0 0 0 35 37 1 0 0 0 0 35 42 2 0 0 0 0 36 39 2 0 0 0 0 36 83 1 0 0 0 0 37 43 2 0 0 0 0 38 40 1 0 0 0 0 38 84 1 0 0 0 0 39 41 1 0 0 0 0 39 44 1 0 0 0 0 40 41 2 0 0 0 0 40 46 1 0 0 0 0 42 45 1 0 0 0 0 42 85 1 0 0 0 0 43 47 1 0 0 0 0 43 86 1 0 0 0 0 44 87 1 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 45 47 2 0 0 0 0 45 90 1 0 0 0 0 46 91 1 0 0 0 0 47 92 1 0 0 0 0 M END > DB15688 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JJVAPHYEOZSKJZ-JGCGQSQUSA-N/SDF?record_type=3d > CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2 > InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1 > JJVAPHYEOZSKJZ-JGCGQSQUSA-N > C36H46N8O3 > 638.817 > 638.369287373 > 6 > 93 > 3.2751155617016607 > 71.31723208209868 > 1 > 3 > 0 > 0 > N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide > 2.85 > 2.1383015653333337 > -3.96 > 1 > 1 > 7 > 1 > 13.658134778837482 > 12.376538995321646 > 8.810192006712974 > 116.91 > 186.52599999999998 > 6 > 0 > 6.96e-02 g/l > N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide > 0 $$$$