24816489 -OEChem-04252411472D 83 86 0 0 0 0 0 0 0999 V2000 11.1564 8.3867 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9287 9.5714 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7440 10.3437 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.2939 8.2344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.9278 6.8684 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.2939 6.5024 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 7.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 4.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1722 2.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5259 7.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6599 8.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9467 11.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 13.0867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3719 7.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 4.5320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 0.8153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9682 11.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2574 12.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 12.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5895 13.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6145 10.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9432 13.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3039 9.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2538 14.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9717 9.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3254 9.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6610 8.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 8.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6825 8.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9502 9.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 6.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0827 5.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 5.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7935 4.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7506 5.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4614 3.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 3.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1507 3.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5044 3.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7939 7.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6599 7.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4418 11.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1994 10.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8043 12.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6399 13.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7534 12.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9178 11.6482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1159 13.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3582 13.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1615 10.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9971 11.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3962 14.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5606 13.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8431 14.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 15.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6645 14.9741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 10.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0751 7.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 8.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7859 6.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6901 6.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3572 5.2785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 3.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 4.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 0.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5614 3.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9581 2.4541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 2.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0628 7.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 49 1 0 0 0 0 5 49 1 0 0 0 0 6 49 1 0 0 0 0 7 31 2 0 0 0 0 8 42 2 0 0 0 0 9 45 2 0 0 0 0 10 50 1 0 0 0 0 10 83 1 0 0 0 0 11 50 2 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 22 1 0 0 0 0 14 29 1 0 0 0 0 14 31 1 0 0 0 0 14 69 1 0 0 0 0 15 34 1 0 0 0 0 15 45 1 0 0 0 0 15 73 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 75 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 24 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 26 66 1 0 0 0 0 27 29 2 0 0 0 0 27 67 1 0 0 0 0 28 29 1 0 0 0 0 28 68 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 34 36 2 0 0 0 0 35 39 2 0 0 0 0 35 71 1 0 0 0 0 36 39 1 0 0 0 0 36 44 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 37 43 2 0 0 0 0 38 41 2 0 0 0 0 38 42 1 0 0 0 0 39 72 1 0 0 0 0 40 46 2 0 0 0 0 41 74 1 0 0 0 0 42 45 1 0 0 0 0 43 47 1 0 0 0 0 43 76 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 44 79 1 0 0 0 0 46 48 1 0 0 0 0 46 80 1 0 0 0 0 47 48 2 0 0 0 0 47 81 1 0 0 0 0 48 82 1 0 0 0 0 49 50 1 0 0 0 0 M END > 24816489 > 1 > 1070 > 13 > 4 > 8 > AAADcfB/ucAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB9AAAHwAQCAAADAzBnhQ+yPPJkgCoA7X3XACCgCA1AiAI2aG4ZNgIYPrAlbGUIYhglADIycccicCeyAAAQAASAACQAACAACQAAAAAAAAAAA== > N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]-4-methyl-benzamide;2,2,2-trifluoroacetic acid > N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]-4-methylbenzamide;2,2,2-trifluoroacetic acid > N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-4-methylbenzamide;2,2,2-trifluoroacetic acid > N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-4-methylbenzamide;2,2,2-trifluoroacetic acid > N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-4-methyl-benzamide;2,2,2-tris(fluoranyl)ethanoic acid > N-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(1H-indol-3-yl)-2-keto-acetyl]amino]-4-methyl-benzamide;2,2,2-trifluoroacetic acid > InChI=1S/C32H32F3N5O3.C2HF3O2/c1-3-39-12-14-40(15-13-39)19-22-10-11-23(17-26(22)32(33,34)35)37-30(42)21-9-8-20(2)28(16-21)38-31(43)29(41)25-18-36-27-7-5-4-6-24(25)27;3-2(4,5)1(6)7/h4-11,16-18,36H,3,12-15,19H2,1-2H3,(H,37,42)(H,38,43);(H,6,7) > HDIKFTMHYOCXFP-UHFFFAOYSA-N > 705.23858814 > C34H33F6N5O5 > 705.6 > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C(=O)C4=CNC5=CC=CC=C54)C(F)(F)F.C(=O)(C(F)(F)F)O > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C(=O)C4=CNC5=CC=CC=C54)C(F)(F)F.C(=O)(C(F)(F)F)O > 135 > 705.23858814 > 0 > 50 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 16 40 8 16 41 8 23 25 8 23 26 8 25 27 8 26 28 8 27 29 8 28 29 8 32 33 8 32 35 8 33 34 8 34 36 8 35 39 8 36 39 8 37 38 8 37 40 8 37 43 8 38 41 8 40 46 8 43 47 8 46 48 8 47 48 8 $$$$