70678251 -OEChem-03282404082D 79 80 0 1 0 0 0 0 0999 V2000 4.0010 11.2553 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7228 2.6281 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0888 3.9942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0888 2.2621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7228 6.9932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0888 8.3592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0888 6.6271 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3209 3.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3209 7.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4548 4.6281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4548 8.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.2553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.7553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.2552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6793 2.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 2.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2629 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6793 0.9505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8671 2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 3.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.2552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 6.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5888 3.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5888 7.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4548 3.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4548 7.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 2.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7238 1.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7238 2.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 0.5112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 4.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 3.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 3.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 4.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 5.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 5.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 5.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 5.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5793 3.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1826 4.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4006 3.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 6.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 6.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.8752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 8.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 8.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 7.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 6.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 5.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 5.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 10.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 10.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8578 3.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8578 7.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 22 2 1 1 0 0 0 3 43 1 0 0 0 0 4 43 1 0 0 0 0 5 43 1 0 0 0 0 6 44 1 0 0 0 0 7 44 1 0 0 0 0 8 44 1 0 0 0 0 9 30 2 0 0 0 0 10 45 1 0 0 0 0 10 78 1 0 0 0 0 11 46 1 0 0 0 0 11 79 1 0 0 0 0 12 45 2 0 0 0 0 13 46 2 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 30 1 0 0 0 0 16 23 2 0 0 0 0 16 33 1 0 0 0 0 17 26 1 0 0 0 0 17 33 2 0 0 0 0 18 32 1 0 0 0 0 18 35 1 0 0 0 0 18 66 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 6 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 26 1 0 0 0 0 22 50 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 6 0 0 0 31 34 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 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 67 1 0 0 0 0 36 40 1 0 0 0 0 36 68 1 0 0 0 0 37 41 2 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 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 42 2 0 0 0 0 40 76 1 0 0 0 0 41 42 1 0 0 0 0 41 77 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 M END > 70678251 > 1 > 707 > 16 > 3 > 6 > AAADcfB7ucAEAAAAAAAAAAAAAAAAAYAAAAA8WIAAAAAAAFgBwAAAHwIQCAAADSrBnjQ3uJfIEgCoAyfzfACCgCkxBaAJ2KE4RpiIaDrB39GUJAholgLIyCcYiMCOhAAAAAAAAAAIAAAAAAAAACAACQAAAA== > (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(isopropylamino)propan-1-one;2,2,2-trifluoroacetic acid > (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl]-3-(propan-2-ylamino)-1-propanone;2,2,2-trifluoroacetic acid > (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[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-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[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-[(5R,7R)-7-fluoranyl-5-methyl-6,7-dihydro-5H-cyclopenta[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-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazino]-3-(isopropylamino)propan-1-one;2,2,2-trifluoroacetic acid > InChI=1S/C24H31ClFN5O.2C2HF3O2/c1-15(2)27-13-19(17-4-6-18(25)7-5-17)24(32)31-10-8-30(9-11-31)23-21-16(3)12-20(26)22(21)28-14-29-23;2*3-2(4,5)1(6)7/h4-7,14-16,19-20,27H,8-13H2,1-3H3;2*(H,6,7)/t16-,19-,20-;;/m1../s1 > QGNQNYCFMNPQTR-VISIQVHMSA-N > 687.2058440 > C28H33ClF7N5O5 > 688.0 > CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)C)C4=CC=C(C=C4)Cl)F.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)C4=CC=C(C=C4)Cl)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O > 136 > 687.2058440 > 0 > 46 > 3 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 16 23 8 16 33 8 17 26 8 17 33 8 19 29 6 22 2 5 20 23 8 20 26 8 31 32 6 34 36 8 34 37 8 36 40 8 37 41 8 40 42 8 41 42 8 $$$$