24892484 -OEChem-05082403562D 68 71 0 1 0 0 0 0 0999 V2000 5.1447 3.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 5.6861 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 3.9541 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 6.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3572 5.6196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3341 3.6198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 8.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2748 7.1334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3688 8.6889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4854 5.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2174 5.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4739 4.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2058 4.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3688 6.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7428 8.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4748 8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7428 7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3225 2.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 8.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7428 5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 9.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1827 2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4508 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2748 8.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1711 1.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4392 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7428 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2994 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0107 5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0107 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2802 5.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8737 5.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8267 4.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4362 5.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8646 4.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2551 3.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4111 3.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8176 4.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7428 8.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 9.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 8.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6647 8.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 5.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2194 5.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4968 9.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 10.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2568 9.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7232 2.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 2.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8106 8.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7044 0.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8987 0.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2797 3.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 6.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2922 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4738 5.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 39 1 0 0 0 0 3 39 1 0 0 0 0 4 39 1 0 0 0 0 5 22 2 0 0 0 0 6 40 1 0 0 0 0 6 68 1 0 0 0 0 7 40 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 50 1 0 0 0 0 12 18 2 0 0 0 0 12 30 1 0 0 0 0 13 21 1 0 0 0 0 13 30 2 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 49 1 0 0 0 0 23 28 2 0 0 0 0 23 29 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 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 33 2 0 0 0 0 26 34 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 31 1 0 0 0 0 28 58 1 0 0 0 0 29 32 2 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 35 2 0 0 0 0 31 61 1 0 0 0 0 32 35 1 0 0 0 0 32 62 1 0 0 0 0 33 36 1 0 0 0 0 33 63 1 0 0 0 0 34 37 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 38 2 0 0 0 0 36 66 1 0 0 0 0 37 38 1 0 0 0 0 37 67 1 0 0 0 0 39 40 1 0 0 0 0 M END > 24892484 > 1 > 728 > 11 > 2 > 5 > AAADceB7sYAEAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAACx0AAAHwIQCAAADCrBmjQ3+JfIEgCoAifzfACCgCkxF6AJ2KGodpiIaDLB2/GUJAholgLIyCcQgAAOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA== > 5-[(4-chlorophenyl)methyl]-7-ethyl-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-chlorophenyl)methyl]-7-ethyl-4-(4-phenyl-1-piperazinyl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-chlorophenyl)methyl]-7-ethyl-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-chlorophenyl)methyl]-7-ethyl-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > 5-[(4-chlorophenyl)methyl]-7-ethyl-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one;2,2,2-tris(fluoranyl)ethanoic acid > 5-(4-chlorobenzyl)-7-ethyl-4-(4-phenylpiperazino)-7,8-dihydropteridin-6-one;2,2,2-trifluoroacetic acid > InChI=1S/C25H27ClN6O.C2HF3O2/c1-2-21-25(33)32(16-18-8-10-19(26)11-9-18)22-23(29-21)27-17-28-24(22)31-14-12-30(13-15-31)20-6-4-3-5-7-20;3-2(4,5)1(6)7/h3-11,17,21H,2,12-16H2,1H3,(H,27,28,29);(H,6,7) > FJXBKFXZUBVQLM-UHFFFAOYSA-N > 576.1863510 > C27H28ClF3N6O3 > 577.0 > CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl.C(=O)(C(F)(F)F)O > CCC1C(=O)N(C2=C(N1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl.C(=O)(C(F)(F)F)O > 102 > 576.1863510 > 0 > 40 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 12 18 8 12 30 8 13 21 8 13 30 8 18 19 8 19 21 8 20 24 3 23 28 8 23 29 8 26 33 8 26 34 8 28 31 8 29 32 8 31 35 8 32 35 8 33 36 8 34 37 8 36 38 8 37 38 8 $$$$