70676465 -OEChem-03282411512D 87 88 0 1 0 0 0 0 0999 V2000 3.1350 10.3831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 12.3831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 11.3831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8671 11.3831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9549 4.5580 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 3.1920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9549 2.8260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9549 8.9232 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 7.5571 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9549 7.1911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.8831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1870 3.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1870 8.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3210 5.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3210 9.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 0.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.3831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.3831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 2.6878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5991 2.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1289 1.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 1.0784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5991 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 3.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.3831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7331 6.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 6.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4549 3.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4549 8.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3210 4.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3210 8.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1079 3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5898 1.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5898 2.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1079 0.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 4.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 3.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 3.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 4.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 5.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 5.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 5.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 5.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4453 3.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0486 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 3.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 6.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 6.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4627 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 5.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 5.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 8.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 8.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 7.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 5.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 5.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 6.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 8.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 8.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 10.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 4.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 8.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 1 0 0 0 0 2 48 1 0 0 0 0 3 48 1 0 0 0 0 4 48 1 0 0 0 0 5 49 1 0 0 0 0 6 49 1 0 0 0 0 7 49 1 0 0 0 0 8 50 1 0 0 0 0 9 50 1 0 0 0 0 10 50 1 0 0 0 0 26 11 1 1 0 0 0 11 71 1 0 0 0 0 12 35 2 0 0 0 0 13 40 1 0 0 0 0 13 85 1 0 0 0 0 14 51 1 0 0 0 0 14 86 1 0 0 0 0 15 52 1 0 0 0 0 15 87 1 0 0 0 0 16 51 2 0 0 0 0 17 52 2 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 35 1 0 0 0 0 20 27 1 0 0 0 0 20 39 2 0 0 0 0 21 28 2 0 0 0 0 21 39 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 72 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 6 0 0 0 23 53 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 32 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 6 0 0 0 34 38 1 0 0 0 0 34 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 37 42 1 0 0 0 0 38 43 2 0 0 0 0 38 44 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 43 45 1 0 0 0 0 43 82 1 0 0 0 0 44 46 2 0 0 0 0 44 83 1 0 0 0 0 45 47 2 0 0 0 0 46 47 1 0 0 0 0 46 84 1 0 0 0 0 47 48 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 M END > 70676465 > 1 > 894 > 21 > 5 > 7 > AAADcfB7ucAAAAAAAAAAAAAAAAAAAYAAAAA8WIAAAAAAAFgBwAAAHwAQCAAADZzhnh43uJfIEgCoAyfzfASCgCkxAKAJ2KE4TJiKfjrA3dGUdAhs1gPY2Ce4mMKOwAAAAAAAAACAAAAAAAAAAKAACQgAAA== > (2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid > (2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl]-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-propanone;2,2,2-trifluoroacetic acid > (2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one;2,2,2-trifluoroacetic acid > (2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one;2,2,2-trifluoroacetic acid > (2S)-2-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1-[4-[(5R,7R)-5-methyl-7-oxidanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-[(2-methyl-1-oxidanyl-propan-2-yl)amino]propan-1-one;2,2,2-tris(fluoranyl)ethanoic acid > (2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-3-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazino]propan-1-one;2,2,2-trifluoroacetic acid > InChI=1S/C26H33F4N5O3.2C2HF3O2/c1-15-10-20(37)22-21(15)23(32-14-31-22)34-6-8-35(9-7-34)24(38)17(12-33-25(2,3)13-36)16-4-5-18(19(27)11-16)26(28,29)30;2*3-2(4,5)1(6)7/h4-5,11,14-15,17,20,33,36-37H,6-10,12-13H2,1-3H3;2*(H,6,7)/t15-,17-,20-;;/m1../s1 > NLBGJHQMCWQILU-SBTPSHRSSA-N > 767.23768009 > C30H35F10N5O7 > 767.6 > CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)(C)CO)C4=CC(=C(C=C4)C(F)(F)F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O > C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)(C)CO)C4=CC(=C(C=C4)C(F)(F)F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O > 176 > 767.23768009 > 0 > 52 > 3 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 26 11 5 20 27 8 20 39 8 21 28 8 21 39 8 23 33 6 24 27 8 24 28 8 34 36 6 38 43 8 38 44 8 43 45 8 44 46 8 45 47 8 46 47 8 $$$$