70680235 -OEChem-04192406112D 82 85 0 1 0 0 0 0 0999 V2000 6.3981 -3.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -2.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.7505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.7505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3622 3.3476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8622 2.4815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8622 0.7495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8622 4.2136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.2505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6660 -3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -4.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3622 1.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8622 2.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3622 1.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3622 3.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -3.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3622 3.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3622 3.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -2.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 -3.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 -3.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 0.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 0.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -4.7505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -5.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -4.7505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -2.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -2.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -3.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 -1.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 -1.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 -2.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 -2.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 -0.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 1.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4611 0.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -0.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2796 2.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9698 1.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9448 3.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2545 3.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4182 -4.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -4.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0382 -3.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3622 3.9676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7422 3.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3622 2.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7703 -2.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 -1.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1503 -1.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4822 0.7495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5522 0.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5522 4.7505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4822 4.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 27 1 0 0 0 0 2 37 1 0 0 0 0 3 30 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 15 1 0 0 0 0 5 47 1 0 0 0 0 6 33 1 0 0 0 0 6 38 2 0 0 0 0 7 35 2 0 0 0 0 7 38 1 0 0 0 0 8 35 1 0 0 0 0 8 79 1 0 0 0 0 8 80 1 0 0 0 0 9 38 1 0 0 0 0 9 81 1 0 0 0 0 9 82 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 21 2 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 1 0 0 0 0 17 23 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 24 1 0 0 0 0 21 57 1 0 0 0 0 22 25 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 62 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 2 0 0 0 0 31 65 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 36 39 1 0 0 0 0 36 68 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 37 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 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 M END > 70680235 > 1 > 786 > 8 > 3 > 11 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx0AAAHgAYAAAADSzBngYztpZqFACoAydydACCiCkhIKAbuKE+zJiNLjLE+duENCpsxhPK6CeY3PLOoAADAAAYQABAAAYAADCAAAAAAAAAAA== > 3-[5-[(2,4-diamino-6-propyl-pyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-1-[(1S)-1-isobutyl-3,4-dihydro-1H-phthalazin-2-yl]propan-1-one > 3-[5-[(2,4-diamino-6-propyl-5-pyrimidinyl)methyl]-2,3-dimethoxyphenyl]-1-[(1S)-1-(2-methylpropyl)-3,4-dihydro-1H-phthalazin-2-yl]-1-propanone > 3-[5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]-1-[(1S)-1-(2-methylpropyl)-3,4-dihydro-1H-phthalazin-2-yl]propan-1-one > 3-[5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]-1-[(1S)-1-(2-methylpropyl)-3,4-dihydro-1H-phthalazin-2-yl]propan-1-one > 3-[5-[[2,4-bis(azanyl)-6-propyl-pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-1-[(1S)-1-(2-methylpropyl)-3,4-dihydro-1H-phthalazin-2-yl]propan-1-one > 3-[5-[(2,4-diamino-6-propyl-pyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-1-[(1S)-1-isobutyl-3,4-dihydro-1H-phthalazin-2-yl]propan-1-one > InChI=1S/C31H42N6O3/c1-6-9-25-24(30(32)36-31(33)35-25)16-20-15-21(29(40-5)27(17-20)39-4)12-13-28(38)37-26(14-19(2)3)23-11-8-7-10-22(23)18-34-37/h7-8,10-11,15,17,19,26,34H,6,9,12-14,16,18H2,1-5H3,(H4,32,33,35,36)/t26-/m0/s1 > UPYRJRSUHGDXLM-SANMLTNESA-N > 4.8 > 546.33183922 > C31H42N6O3 > 546.7 > CCCC1=C(C(=NC(=N1)N)N)CC2=CC(=C(C(=C2)OC)OC)CCC(=O)N3C(C4=CC=CC=C4CN3)CC(C)C > CCCC1=C(C(=NC(=N1)N)N)CC2=CC(=C(C(=C2)OC)OC)CCC(=O)N3[C@H](C4=CC=CC=C4CN3)CC(C)C > 129 > 546.33183922 > 0 > 40 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 5 12 14 8 12 17 8 14 21 8 17 23 8 21 24 8 23 24 8 25 26 8 25 27 8 26 28 8 27 30 8 28 31 8 30 31 8 32 33 8 32 35 8 6 33 8 6 38 8 7 35 8 7 38 8 $$$$