70676145 -OEChem-04262414252D 84 85 0 1 0 0 0 0 0999 V2000 10.0011 11.3831 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0571 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 8.4231 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 6.6911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 13.7482 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2275 15.1142 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2275 13.3821 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7332 7.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 6.8831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4595 14.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 9.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5935 15.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 3.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 5.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 0.8831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 2.3831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2691 7.3831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6794 2.6878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7332 2.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2630 1.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6794 1.0784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7332 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 2.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 4.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7332 4.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7332 5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 3.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 7.3831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8671 6.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1351 6.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 6.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 8.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 6.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9030 7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9030 6.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1351 8.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 8.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1351 9.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 9.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 10.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7275 14.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5935 14.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2419 3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 1.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 2.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2419 0.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 4.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7890 3.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9452 3.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3437 4.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7890 5.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 5.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3437 5.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9452 5.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5794 3.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1827 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4007 3.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4642 7.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7366 6.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 6.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5967 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2691 8.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4642 1.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1385 5.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9355 5.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 8.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 8.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3661 7.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 5.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 5.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 6.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5982 8.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4041 8.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5982 10.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4041 10.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 6.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9965 14.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 2 45 1 0 0 0 0 3 45 1 0 0 0 0 4 45 1 0 0 0 0 5 46 1 0 0 0 0 6 46 1 0 0 0 0 7 46 1 0 0 0 0 23 8 1 1 0 0 0 8 67 1 0 0 0 0 9 32 2 0 0 0 0 10 37 1 0 0 0 0 10 82 1 0 0 0 0 11 47 1 0 0 0 0 11 83 1 0 0 0 0 12 48 1 0 0 0 0 12 84 1 0 0 0 0 13 47 2 0 0 0 0 14 48 2 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 32 1 0 0 0 0 17 24 1 0 0 0 0 17 36 2 0 0 0 0 18 25 2 0 0 0 0 18 36 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 68 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 6 0 0 0 20 49 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 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 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 6 0 0 0 31 35 1 0 0 0 0 31 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 34 39 1 0 0 0 0 35 40 2 0 0 0 0 35 41 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 42 1 0 0 0 0 40 78 1 0 0 0 0 41 43 2 0 0 0 0 41 79 1 0 0 0 0 42 44 2 0 0 0 0 42 80 1 0 0 0 0 43 44 1 0 0 0 0 43 81 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 M END > 70676145 > 1 > 765 > 17 > 5 > 7 > AAADcfB7ucAEAAAAAAAAAAAAAAAAAYAAAAA8WIAAAAAAAFgBwAAAHwIQCAAADZ7hnjY3uJfIEgCoAyfzfASCgCkxBaAJ2KE4TpiKfjrB39GUdAhs1gPY2Ce4mMKOhAAAAAAAAAAIAAAAAAAAAKAACQgAAA== > (2S)-2-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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/C25H34ClN5O3.2C2HF3O2/c1-16-12-20(33)22-21(16)23(28-15-27-22)30-8-10-31(11-9-30)24(34)19(13-29-25(2,3)14-32)17-4-6-18(26)7-5-17;2*3-2(4,5)1(6)7/h4-7,15-16,19-20,29,32-33H,8-14H2,1-3H3;2*(H,6,7)/t16-,19-,20-;;/m1../s1 > GXTBWMMYEHRYEG-VISIQVHMSA-N > 715.2207452 > C29H36ClF6N5O7 > 716.1 > CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)(C)CO)C4=CC=C(C=C4)Cl)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)Cl)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O > 176 > 715.2207452 > 0 > 48 > 3 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 17 24 8 17 36 8 18 25 8 18 36 8 20 30 6 21 24 8 21 25 8 31 33 6 35 40 8 35 41 8 40 42 8 41 43 8 42 44 8 43 44 8 23 8 5 $$$$