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0 0 11.5263 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 15 2 0 0 0 0 3 27 1 0 0 0 0 3 30 1 0 0 0 0 4 28 1 0 0 0 0 4 31 1 0 0 0 0 5 29 1 0 0 0 0 5 32 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 6 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 1 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 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 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 47 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 19 22 2 0 0 0 0 19 49 1 0 0 0 0 20 24 1 0 0 0 0 20 50 1 0 0 0 0 21 23 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 M END > 69755274 > 1 > 611 > 6 > 0 > 7 > AAADceB7OQAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHwAAAAAADCzBmA4yBoMABACIAiFSEACCCAAgIAAIiAAOjMgNZyKEsRuUMCplxhWKqYeQ4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA== > (E)-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > (E)-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one > (E)-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > (E)-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > (E)-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > (E)-1-[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > InChI=1S/C25H31FN2O4/c1-17-15-28(18(2)14-27(17)16-19-6-9-21(26)10-7-19)24(29)11-8-20-12-22(30-3)25(32-5)23(13-20)31-4/h6-13,17-18H,14-16H2,1-5H3/b11-8+/t17-,18+/m0/s1 > OOWARBDZHYGVQQ-JQJPNHIOSA-N > 4 > 442.22678564 > C25H31FN2O4 > 442.5 > CC1CN(C(CN1C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)C)CC3=CC=C(C=C3)F > C[C@@H]1CN([C@H](CN1C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)C)CC3=CC=C(C=C3)F > 51.2 > 442.22678564 > 0 > 32 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 16 18 8 16 19 8 18 21 8 19 22 8 21 23 8 22 23 8 24 25 8 24 26 8 25 28 8 26 27 8 27 29 8 28 29 8 8 13 6 9 14 5 $$$$