70676463 -OEChem-04262422032D 86 87 0 1 0 0 0 0 0999 V2000 2.2690 10.3831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 12.3831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 11.3831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 11.3831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7229 3.1920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0889 4.5580 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0889 2.8260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0889 8.9232 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7229 7.5571 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0889 7.1911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3210 3.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3210 8.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4549 5.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4549 9.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.3831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.3831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6793 2.6878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 2.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2629 1.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6793 1.0784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7331 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 3.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.3831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8671 6.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 6.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 3.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 8.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4549 4.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4549 8.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7238 1.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7238 2.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 0.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 4.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 3.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 3.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 4.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 5.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 5.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 5.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 5.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5793 3.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1826 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4006 3.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 6.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 6.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5966 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 6.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 5.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 8.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 8.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 7.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 5.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 5.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 6.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 8.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 8.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 10.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8579 4.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8579 8.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 2 47 1 0 0 0 0 3 47 1 0 0 0 0 4 47 1 0 0 0 0 5 48 1 0 0 0 0 6 48 1 0 0 0 0 7 48 1 0 0 0 0 8 49 1 0 0 0 0 9 49 1 0 0 0 0 10 49 1 0 0 0 0 25 11 1 1 0 0 0 11 70 1 0 0 0 0 12 34 2 0 0 0 0 13 50 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 50 2 0 0 0 0 16 51 2 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 34 1 0 0 0 0 19 26 1 0 0 0 0 19 38 2 0 0 0 0 20 27 2 0 0 0 0 20 38 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 72 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 6 0 0 0 22 52 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 6 0 0 0 33 37 1 0 0 0 0 33 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 36 41 1 0 0 0 0 37 42 2 0 0 0 0 37 43 1 0 0 0 0 38 71 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 42 44 1 0 0 0 0 42 82 1 0 0 0 0 43 45 2 0 0 0 0 43 83 1 0 0 0 0 44 46 2 0 0 0 0 45 46 1 0 0 0 0 45 84 1 0 0 0 0 46 47 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 M END > 70676463 > 1 > 869 > 20 > 4 > 6 > AAADcfB7ucAAAAAAAAAAAAAAAAAAAYAAAAA8WIAAAAAAAFgBwAAAHwAQCAAADZzhnh43uJfIEgCoAyfzfASCgCkxAKAJ2KE4TJiKfjrA3dGUdAhs1gPY2Ce4mMKOwAAAAAAAAACAAAAAAAAAAKAACQgAAA== > (2S)-3-(tert-butylamino)-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]propan-1-one;2,2,2-trifluoroacetic acid > (2S)-3-(tert-butylamino)-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]-1-propanone;2,2,2-trifluoroacetic acid > (2S)-3-(tert-butylamino)-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]propan-1-one;2,2,2-trifluoroacetic acid > (2S)-3-(tert-butylamino)-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]propan-1-one;2,2,2-trifluoroacetic acid > (2S)-3-(tert-butylamino)-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]propan-1-one;2,2,2-tris(fluoranyl)ethanoic acid > (2S)-3-(tert-butylamino)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-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/C26H33F4N5O2.2C2HF3O2/c1-15-11-20(36)22-21(15)23(32-14-31-22)34-7-9-35(10-8-34)24(37)17(13-33-25(2,3)4)16-5-6-18(19(27)12-16)26(28,29)30;2*3-2(4,5)1(6)7/h5-6,12,14-15,17,20,33,36H,7-11,13H2,1-4H3;2*(H,6,7)/t15-,17-,20-;;/m1../s1 > CHDTXUBPLTXCOX-SBTPSHRSSA-N > 751.24276547 > C30H35F10N5O6 > 751.6 > CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)(C)C)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)C)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 > 156 > 751.24276547 > 0 > 51 > 3 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 25 11 5 19 26 8 19 38 8 20 27 8 20 38 8 22 32 6 23 26 8 23 27 8 33 35 6 37 42 8 37 43 8 42 44 8 43 45 8 44 46 8 45 46 8 $$$$