49851484 -OEChem-04262400502D 77 81 0 0 0 0 0 0 0999 V2000 5.4050 -0.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 1.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7974 -1.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.0699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 1.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 1.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9313 0.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -2.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0653 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0653 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9313 1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4672 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6012 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7352 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7974 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6634 0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -2.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -3.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -2.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -1.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -0.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -1.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -2.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -0.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -1.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -3.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -3.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -3.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -3.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 0.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 1.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 0.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8681 3.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 4.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 3.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5887 0.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9872 -0.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4638 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6668 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7318 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9347 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6668 -0.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4638 -0.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5419 1.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1434 2.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8657 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9997 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2027 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3366 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2677 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4706 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9734 -0.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2003 0.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3534 0.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 22 1 0 0 0 0 2 33 1 0 0 0 0 3 34 2 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 51 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 52 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 34 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 21 23 2 0 0 0 0 21 54 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 29 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 30 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 35 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 M END > 49851484 > 1 > 694 > 4 > 2 > 9 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YMGDAAAAAAABAAAAHgAQAAAADYzhkAYzxoPABACIACVSUACCCAAhIgAIiAAObIiMZiLEsZuWOCju1hvI6CeQ0MMOAAAAAgAAAAAAAASEAAAAAAAAAAAAAA== > 1-[3-[5-(4-acetylpiperazin-1-yl)pentoxy]phenyl]-3-(1-adamantyl)urea > 1-[3-[5-(4-acetyl-1-piperazinyl)pentoxy]phenyl]-3-(1-adamantyl)urea > 1-[3-[5-(4-acetylpiperazin-1-yl)pentoxy]phenyl]-3-(1-adamantyl)urea > 1-[3-[5-(4-acetylpiperazin-1-yl)pentoxy]phenyl]-3-(1-adamantyl)urea > 1-(1-adamantyl)-3-[3-[5-(4-ethanoylpiperazin-1-yl)pentoxy]phenyl]urea > 1-[3-[5-(4-acetylpiperazino)pentoxy]phenyl]-3-(1-adamantyl)urea > InChI=1S/C28H42N4O3/c1-21(33)32-11-9-31(10-12-32)8-3-2-4-13-35-26-7-5-6-25(17-26)29-27(34)30-28-18-22-14-23(19-28)16-24(15-22)20-28/h5-7,17,22-24H,2-4,8-16,18-20H2,1H3,(H2,29,30,34) > BLHCFAVETBBSOU-UHFFFAOYSA-N > 4 > 482.32569121 > C28H42N4O3 > 482.7 > CC(=O)N1CCN(CC1)CCCCCOC2=CC=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 > CC(=O)N1CCN(CC1)CCCCCOC2=CC=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 > 73.9 > 482.32569121 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 20 8 19 21 8 20 22 8 21 23 8 22 24 8 23 24 8 $$$$