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0 0 0 0 -6.4842 -2.3993 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3908 -1.4064 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8742 4.8514 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0248 2.4900 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6159 3.7522 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 -2.4784 -1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3668 -3.3996 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6243 -3.2710 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4717 -2.2656 2.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -4.5466 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 -3.7430 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2111 -1.3504 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0532 -0.3518 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3190 -0.2197 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6435 -1.1358 2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 -4.3297 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 -3.4070 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6877 -1.2724 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -2.2619 1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 1.3711 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9427 1.2539 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 4.8948 1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5964 3.3519 1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 2.0592 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 0.5330 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 4.0488 1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3874 4.2203 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 4.4584 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 2.7691 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9177 0.9385 0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2281 0.0395 0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0468 -0.0508 -0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2657 3.9661 -1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4102 2.2576 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0628 -3.1093 2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -0.5108 -3.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6295 -0.5365 -1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4651 -2.0015 -2.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4154 -2.0881 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 -0.0215 -3.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6019 -1.5656 -4.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1985 -1.3821 -3.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 -3.5042 2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1455 -0.4461 1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8350 0.6944 -0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 5.5520 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 1.3394 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6987 -3.4386 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3059 -1.6740 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 5.8339 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6022 1.6341 0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 1 0 0 0 0 2 32 1 0 0 0 0 2 37 1 0 0 0 0 3 27 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 25 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 13 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 14 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 18 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 19 1 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 23 2 0 0 0 0 20 28 1 0 0 0 0 21 24 2 0 0 0 0 21 29 1 0 0 0 0 22 26 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 26 34 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 27 35 1 0 0 0 0 28 33 2 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 32 2 0 0 0 0 30 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 33 1 0 0 0 0 33 83 1 0 0 0 0 34 39 2 0 0 0 0 34 40 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 84 1 0 0 0 0 37 41 2 0 0 0 0 38 42 2 0 0 0 0 38 85 1 0 0 0 0 39 43 1 0 0 0 0 39 86 1 0 0 0 0 40 44 2 0 0 0 0 40 87 1 0 0 0 0 41 42 1 0 0 0 0 41 88 1 0 0 0 0 42 89 1 0 0 0 0 43 45 2 0 0 0 0 43 90 1 0 0 0 0 44 45 1 0 0 0 0 44 91 1 0 0 0 0 M END > DB17198 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FNEHSJQRIWHZKS-UHFFFAOYSA-N/SDF?record_type=3d > CN1CCN(CCCN2C(C)=C(C)C3=CC(OC4=CC(=CC=C4)C(=O)N4CCN(CCC5=CC=C(F)C=C5)CC4)=CC=C23)CC1 > InChI=1S/C37H46FN5O2/c1-28-29(2)43(16-5-15-40-20-18-39(3)19-21-40)36-13-12-34(27-35(28)36)45-33-7-4-6-31(26-33)37(44)42-24-22-41(23-25-42)17-14-30-8-10-32(38)11-9-30/h4,6-13,26-27H,5,14-25H2,1-3H3 > FNEHSJQRIWHZKS-UHFFFAOYSA-N > C37H46FN5O2 > 611.806 > 611.363553904 > 4 > 91 > 3.0243537275806807 > 70.78767497383794 > 0 > 0 > 0 > 0 > 5-(3-{4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl}phenoxy)-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole > 5.28 > 5.735625873666668 > -5.46 > 1 > 2 > 6 > 1 > 8.574556742183356 > 44.190000000000005 > 181.91339999999988 > 10 > 0 > 2.12e-03 g/l > 5-(3-{4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl}phenoxy)-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole > 0 $$$$