49851387 -OEChem-04192402562D 74 78 0 0 0 0 0 0 0999 V2000 5.4050 -0.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9313 3.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.5699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.9301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 1.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0653 2.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -3.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -3.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -3.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -3.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -3.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4672 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0653 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6012 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7352 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9313 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7973 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -3.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -4.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -2.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -2.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -1.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -1.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -2.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -1.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -2.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -4.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -4.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -3.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -3.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -4.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 -0.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 1.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 0.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8681 2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 3.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8007 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5978 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 3.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7227 2.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8657 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2773 0.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6759 1.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5978 3.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8007 3.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9997 1.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2027 1.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3366 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2677 1.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4706 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4873 1.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3343 2.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1073 2.9671 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 32 1 0 0 0 0 3 33 2 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 50 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 51 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 33 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 35 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 36 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 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 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 52 1 0 0 0 0 21 23 2 0 0 0 0 21 53 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 24 59 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 30 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 34 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 M END > 49851387 > 1 > 679 > 4 > 2 > 8 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YMGDAAAAAAABAAAAHgAQAAAADYzhkAYzxoPABACIACVSUACCCAAhIgAIiAAObIiMZiLEsZuWOCju1hvI6Cew0MMOAAAAAgAAAAAAAASEAAAAAAAAAAAAAA== > 1-[3-[4-(4-acetylpiperazin-1-yl)butoxy]phenyl]-3-(1-adamantyl)urea > 1-[3-[4-(4-acetyl-1-piperazinyl)butoxy]phenyl]-3-(1-adamantyl)urea > 1-[3-[4-(4-acetylpiperazin-1-yl)butoxy]phenyl]-3-(1-adamantyl)urea > 1-[3-[4-(4-acetylpiperazin-1-yl)butoxy]phenyl]-3-(1-adamantyl)urea > 1-(1-adamantyl)-3-[3-[4-(4-ethanoylpiperazin-1-yl)butoxy]phenyl]urea > 1-[3-[4-(4-acetylpiperazino)butoxy]phenyl]-3-(1-adamantyl)urea > InChI=1S/C27H40N4O3/c1-20(32)31-10-8-30(9-11-31)7-2-3-12-34-25-6-4-5-24(16-25)28-26(33)29-27-17-21-13-22(18-27)15-23(14-21)19-27/h4-6,16,21-23H,2-3,7-15,17-19H2,1H3,(H2,28,29,33) > YYUMPAGOCYJVSZ-UHFFFAOYSA-N > 3.6 > 468.31004115 > C27H40N4O3 > 468.6 > CC(=O)N1CCN(CC1)CCCCOC2=CC=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 > CC(=O)N1CCN(CC1)CCCCOC2=CC=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 > 73.9 > 468.31004115 > 0 > 34 > 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 $$$$