70678109 -OEChem-05102418062D 82 83 0 1 0 0 0 0 0999 V2000 9.1350 10.8716 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.8013 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 8.1674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 6.4353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5623 13.2367 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9283 14.6027 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9283 12.8706 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 6.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1604 13.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2943 15.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 3.3716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 5.3716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 0.3716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 1.8716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 6.8716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8133 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3969 1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 1.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8133 0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 2.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6233 2.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5059 3.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 3.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 3.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 4.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 4.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 6.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 6.8716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2690 6.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 7.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 6.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2690 8.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 8.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6709 6.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 5.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2690 9.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 9.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 9.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4283 13.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2943 14.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8578 0.9569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8578 1.7864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5623 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3507 0.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9869 2.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1256 3.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2598 3.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0959 3.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3154 3.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9160 2.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5245 3.9793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9230 3.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0791 3.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4777 3.9793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9230 5.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5245 4.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4777 4.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0791 5.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5981 0.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 6.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8705 5.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6675 5.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 7.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 6.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7321 8.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 8.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 7.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 7.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3609 6.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 5.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 4.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1570 5.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7321 9.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 9.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.6113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6973 14.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 43 1 0 0 0 0 3 43 1 0 0 0 0 4 43 1 0 0 0 0 5 44 1 0 0 0 0 6 44 1 0 0 0 0 7 44 1 0 0 0 0 8 30 2 0 0 0 0 9 45 1 0 0 0 0 9 81 1 0 0 0 0 10 46 1 0 0 0 0 10 82 1 0 0 0 0 11 45 2 0 0 0 0 12 46 2 0 0 0 0 13 23 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 22 1 0 0 0 0 15 31 2 0 0 0 0 16 23 2 0 0 0 0 16 31 1 0 0 0 0 17 33 1 0 0 0 0 17 35 1 0 0 0 0 17 69 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 29 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 0 0 0 0 35 70 1 0 0 0 0 36 40 1 0 0 0 0 36 71 1 0 0 0 0 37 41 2 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 42 2 0 0 0 0 40 79 1 0 0 0 0 41 42 1 0 0 0 0 41 80 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 M END > 70678109 > 1 > 711 > 15 > 3 > 6 > AAADcfB7ucAEAAAAAAAAAAAAAAAAAYAAAAA8WIAAAAAAAFgBwAAAHwIQCAAADyrBnjQ3uJfIEgCoAyfzfACCgCkxBaAJ2KE4RpiIaDrB39GUJAholgLIyCcYiMCPhAAAAAAAAAAIAAAAAAAAACAACQAAAA== > (2S)-2-(4-chlorophenyl)-1-[4-(5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(isopropylamino)propan-1-one;2,2,2-trifluoroacetic acid > (2S)-2-(4-chlorophenyl)-1-[4-(5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl)-1-piperazinyl]-3-(propan-2-ylamino)-1-propanone;2,2,2-trifluoroacetic acid > (2S)-2-(4-chlorophenyl)-1-[4-(5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2,2,2-trifluoroacetic acid > (2S)-2-(4-chlorophenyl)-1-[4-(5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2,2,2-trifluoroacetic acid > (2S)-2-(4-chlorophenyl)-1-[4-(5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2,2,2-tris(fluoranyl)ethanoic acid > (2S)-2-(4-chlorophenyl)-1-[4-(5,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-4-yl)piperazino]-3-(isopropylamino)propan-1-one;2,2,2-trifluoroacetic acid > InChI=1S/C25H34ClN5O.2C2HF3O2/c1-17(2)27-15-20(18-5-7-19(26)8-6-18)24(32)31-13-11-30(12-14-31)23-22-21(28-16-29-23)9-10-25(22,3)4;2*3-2(4,5)1(6)7/h5-8,16-17,20,27H,9-15H2,1-4H3;2*(H,6,7)/t20-;;/m1../s1 > MVIQZFWKFRLJBI-FAVHNTAZSA-N > 683.2309159 > C29H36ClF6N5O5 > 684.1 > CC(C)NCC(C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3C(CC4)(C)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O > CC(C)NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3C(CC4)(C)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O > 136 > 683.2309159 > 0 > 46 > 1 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 15 22 8 15 31 8 16 23 8 16 31 8 20 22 8 20 23 8 32 33 6 34 36 8 34 37 8 36 40 8 37 41 8 40 42 8 41 42 8 $$$$