69520674 -OEChem-05102423052D 78 82 0 0 0 0 0 0 0999 V2000 10.6764 0.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1894 -0.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3736 -2.0374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6532 -1.0174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 1.0225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1876 -6.5471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 4.0918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5019 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3852 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -2.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5250 -0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2338 -2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7931 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2222 -3.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8046 0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9213 -0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0824 -4.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3505 -4.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9444 1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0709 -5.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3389 -5.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1991 -5.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0477 -7.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3158 -7.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0979 -2.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8949 -3.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9945 -1.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6040 -0.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0324 -1.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4229 -2.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9290 -0.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1320 -0.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8431 -2.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4526 -1.9672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9142 -1.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6229 -3.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 -3.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9516 1.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6042 -5.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7984 -5.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 0.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7316 -7.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5811 -7.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3639 -6.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0120 -6.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7753 -7.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6196 -7.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 3.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 4.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 5.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 5.6648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 4.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 1.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 7.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 7.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 6.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 23 2 0 0 0 0 3 37 1 0 0 0 0 3 39 1 0 0 0 0 4 36 1 0 0 0 0 4 41 1 0 0 0 0 5 40 1 0 0 0 0 5 42 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 8 25 1 0 0 0 0 8 29 1 0 0 0 0 8 59 1 0 0 0 0 9 28 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 29 2 0 0 0 0 10 38 1 0 0 0 0 11 33 1 0 0 0 0 11 38 2 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 24 1 0 0 0 0 20 23 1 0 0 0 0 20 53 1 0 0 0 0 21 26 1 0 0 0 0 21 54 1 0 0 0 0 22 27 2 0 0 0 0 22 55 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 24 56 1 0 0 0 0 26 28 2 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 29 30 1 0 0 0 0 30 33 1 0 0 0 0 30 34 2 0 0 0 0 31 60 1 0 0 0 0 31 61 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 32 65 1 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 37 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 M END > 69520674 > 1 > 988 > 11 > 1 > 11 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8eIECAAAAAACx9AAAHgAQAAAADAzhngY39vfIFACoA6ZzZACCiCkxIqAJ2CC+7NiNbqLE+fuWPCruwBvK6eew0BMOKEABAgACQABQgAIEAASAAAAAAAAAAA== > 2-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-1,4-benzoquinone > 2-[4-[[4-(dimethylamino)phenyl]methyl]-1-piperazinyl]-5-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]cyclohexa-2,5-diene-1,4-dione > 2-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione > 2-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione > 2-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione > 2-[4-[4-(dimethylamino)benzyl]piperazino]-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-p-benzoquinone > InChI=1S/C31H36N6O5/c1-35(2)22-7-5-21(6-8-22)19-36-9-11-37(12-10-36)26-18-27(38)25(16-28(26)39)34-31-23-15-29(41-4)30(42-14-13-40-3)17-24(23)32-20-33-31/h5-8,15-18,20H,9-14,19H2,1-4H3,(H,32,33,34) > ORVAHBXCXZMNJZ-UHFFFAOYSA-N > 3.3 > 572.27471827 > C31H36N6O5 > 572.7 > CN(C)C1=CC=C(C=C1)CN2CCN(CC2)C3=CC(=O)C(=CC3=O)NC4=NC=NC5=CC(=C(C=C54)OC)OCCOC > CN(C)C1=CC=C(C=C1)CN2CCN(CC2)C3=CC(=O)C(=CC3=O)NC4=NC=NC5=CC(=C(C=C54)OC)OCCOC > 109 > 572.27471827 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 29 8 10 38 8 11 33 8 11 38 8 18 21 8 18 22 8 21 26 8 22 27 8 26 28 8 27 28 8 29 30 8 30 33 8 30 34 8 33 35 8 34 36 8 35 37 8 36 37 8 $$$$