53313056 -OEChem-04262405102D 76 78 0 0 0 0 0 0 0999 V2000 10.9401 6.9725 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5740 5.6065 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9401 5.2404 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1721 6.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3061 7.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6793 5.2322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6793 6.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 4.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2629 6.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9685 4.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3221 3.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 12.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4401 6.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3061 6.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 4.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8829 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 8.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8406 3.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5752 3.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0963 4.6821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8607 3.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 3.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7836 3.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 9.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 9.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7091 6.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 40 1 0 0 0 0 3 40 1 0 0 0 0 4 37 2 0 0 0 0 5 41 1 0 0 0 0 5 76 1 0 0 0 0 6 41 2 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 16 1 0 0 0 0 8 23 1 0 0 0 0 8 52 1 0 0 0 0 9 23 1 0 0 0 0 9 24 2 0 0 0 0 10 23 2 0 0 0 0 10 26 1 0 0 0 0 11 24 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 25 1 0 0 0 0 12 28 2 0 0 0 0 13 26 1 0 0 0 0 13 31 1 0 0 0 0 13 61 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 72 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 68 1 0 0 0 0 33 35 2 0 0 0 0 33 69 1 0 0 0 0 34 36 2 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 35 71 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 41 1 0 0 0 0 M END > 53313056 > 1 > 755 > 12 > 4 > 8 > AAADcfB78YAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB/AAAHwAQCAAACCjBlxQ3+L/MEgCoASfzfACCgC0xEqAJ2KAodNiIaGLA2dGUJAholALIyKcQAAAAAACAAAAAAAAAAQAAAAAAAAAAAAAAAA== > N-[4-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-isopropyl-purin-6-yl]amino]phenyl]prop-2-enamide;2,2,2-trifluoroacetic acid > N-[4-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-yl-6-purinyl]amino]phenyl]-2-propenamide;2,2,2-trifluoroacetic acid > N-[4-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]prop-2-enamide;2,2,2-trifluoroacetic acid > N-[4-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]prop-2-enamide;2,2,2-trifluoroacetic acid > N-[4-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-yl-purin-6-yl]amino]phenyl]prop-2-enamide;2,2,2-tris(fluoranyl)ethanoic acid > N-[4-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-isopropyl-purin-6-yl]amino]phenyl]acrylamide;2,2,2-trifluoroacetic acid > InChI=1S/C25H34N8O.C2HF3O2/c1-6-21(34)27-17-7-9-18(10-8-17)28-23-22-24(33(15-26-22)16(2)3)31-25(30-23)29-19-11-13-20(14-12-19)32(4)5;3-2(4,5)1(6)7/h6-10,15-16,19-20H,1,11-14H2,2-5H3,(H,27,34)(H2,28,29,30,31);(H,6,7) > VHNVOCMDGVYEFO-UHFFFAOYSA-N > 576.27842149 > C27H35F3N8O3 > 576.6 > CC(C)N1C=NC2=C(N=C(N=C21)NC3CCC(CC3)N(C)C)NC4=CC=C(C=C4)NC(=O)C=C.C(=O)(C(F)(F)F)O > CC(C)N1C=NC2=C(N=C(N=C21)NC3CCC(CC3)N(C)C)NC4=CC=C(C=C4)NC(=O)C=C.C(=O)(C(F)(F)F)O > 137 > 576.27842149 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 23 8 10 26 8 11 24 8 11 28 8 12 25 8 12 28 8 24 25 8 25 26 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 9 23 8 9 24 8 $$$$